Responsive image

Common name

indole

IUPAC name

indole

SMILES

[nH]1ccc2c1cccc2

Common name

indole

IUPAC name

indole

SMILES

[nH]1ccc2c1cccc2

INCHI

InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

FORMULA

C8H7N

Responsive image

Common name

indole

IUPAC name

indole





Molecular weight

117.148

clogP

2.663

clogS

-2.322

Frequency

0.0086





HBond Acceptor

0

HBond Donor

1

Total Polar
Surface Area

15.79

Number of Rings

2

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00569 Delavirdine Responsive image Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted.
FDBD00621 Dolasetron Responsive image Serotonin Antagonists; Antiemetics; Alimentary Tract and Metabolism; Serotonin (5Ht3) Antagonists; Antiemetics and Antinauseants; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; For the prevention of nausea and vomiting associated with emetogenic cancer chemotherapy, including initial and repeat courses of chemotherapy. Also used for the prevention of postoperative nausea and vomiting. This drug can be used intravenously for the treatment of postoperative nausea and vomiting.
FDBD00775 Almotriptan Responsive image Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; For the treatment of acute migraine headache in adults.
FDBD00807 Naratriptan Responsive image Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; For the acute treatment of migraine attacks with or without aura in adults.
FDBD00808 Rizatriptan Responsive image Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; For treatment of acute migraine attacks with or without aura.
FDBD00815 Pindolol Responsive image Antihypertensive Agents; Vasodilator Agents; Serotonin Antagonists; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation.
FDBD00916 Melatonin Responsive image Antioxidants; Hypnotics and Sedatives; Central Nervous System Depressants; Nervous System; Psycholeptics; Melatonin Receptor Agonists; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Used orally for jet lag, insomnia, shift-work disorder, circadian rhythm disorders in the blind (evidence for efficacy), and benzodiazepine and nicotine withdrawal. Evidence indicates that melatonin is likely effective for treating circadian rhythm sleep disorders in blind children and adults. It has received FDA orphan drug status as an oral medication for this use. A number of studies have shown that melatonin may be effective for treating sleep-wake cycle disturbances in children and adolescents with mental retardation, autism, and other central nervous system disorders. It appears to decrease the time to fall asleep in children with developmental disabilities, such as cerebral palsy, autism, and mental retardation. It may also improve secondary insomnia associated with various sleep-wake cycle disturbances. Other possible uses for which there is some evidence for include: benzodiazepine withdrawal, cluster headache, delayed sleep phase syndrome (DSPS), primary insomnia, jet lag, nicotine withdrawal, preoperative anxiety and sedation, prostate cancer, solid tumors (when combined with IL-2 therapy in certain cancers), sunburn prevention (topical use), tardive dyskinesia, thrombocytopenia associated with cancer, chemotherapy and other disorders.
FDBD00945 Fluvastatin Responsive image Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; To be used as an adjunct to dietary therapy to prevent cardiovascular events. May be used as secondary prevention in patients with coronary heart disease (CHD) to reduce the risk of requiring coronary revascularization procedures, for reducing progression of coronary atherosclerosis in hypercholesterolemic patients with CHD, and for the treatment of primary hypercholesterolemia and mixed dyslidipidemia.
FDBD01343 Vapreotide Responsive image Antineoplastic Agents; Analgesics; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; For the treatment of esophageal variceal bleeding in patients with cirrhotic liver disease and has also shown efficacy in the treatment of patients with AIDS-related diarrhea.
FDBD01429 Pasireotide Responsive image Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; For the treatment of Cushing's disease, specifically for those patients whom pituitary surgery has not been curative or is not an option.
25 , 3
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2vuk_ligand_1_1.mol2 2vuk 1 -8.20 C1CCC[C@H]2[C@H]3CCCC[C@H]3[N@H+]([C@@H]12)CC 15
1tow_ligand_2_2.mol2 1tow 1 -8.13 CC[N@@H+]1[C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2 15
1tow_ligand_1_2.mol2 1tow 1 -7.89 [N@H+]1([C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2)C 14
1tow_ligand_frag_3.mol2 1tow 1 -7.81 [NH2+]1[C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2 13
4us3_ligand_1_1.mol2 4us3 1 -7.79 [C@@H]1(C[NH2+][C@H]2[C@H]1CCCC2)C 10
2pql_ligand_1_1.mol2 2pql 1 -7.75 C[C@@H]1C[NH2+][C@@H]2[C@H]1CCCC2 10
4us4_ligand_1_1.mol2 4us4 1 -7.73 C[C@H]1C[NH2+][C@H]2[C@@H]1CCCC2 10
4zim_ligand_frag_0.mol2 4zim 1 -7.71 C1CC[C@@H]2[C@H](C1)[C@H]1[C@H](CCCC1)[NH2+]2 13
2vuk_ligand_frag_0.mol2 2vuk 1 -7.70 C1CCC[C@H]2[C@H]3CCCC[C@H]3[NH2+][C@@H]12 13
3dxk_ligand_2_0.mol2 3dxk 1 -7.69 CC[C@@H]1[C@@H](C)[NH2+][C@H]2CCCC[C@@H]12 12
489 , 49