Common name
methylcyclohexane
IUPAC name
methylcyclohexane
SMILES
CC1CCCCC1
Common name
methylcyclohexane
IUPAC name
methylcyclohexane
SMILES
CC1CCCCC1
INCHI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
FORMULA
C7H14
Common name
methylcyclohexane
IUPAC name
methylcyclohexane
Molecular weight
98.186
clogP
2.544
clogS
-1.621
Frequency
0.0038
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00110 | Glimepiride |
|
Hypoglycemic Agents; Immunosuppressive Agents; Anti-Arrhythmia Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For concomitant use with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus. |
| FDBD00925 | Perhexiline |
|
Vasodilator Agents; Calcium Channel Blockers; Cardiovascular Agents; Cardiovascular System; Non-Selective Calcium Channel Blockers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the management of severe angina pectoris. |
| FDBD01241 | Everolimus |
|
Everolimus is indicated for the treatment of postmenopausal women with advanced hormone receptor-positive, HER2-negative breast cancer (advanced HR+ BC) in combination with exemestane, after failure of treatment with letrozole or anastrozole. | |
| FDBD01345 | Ximelagatran |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of acute deep vein thrombosis. |
| FDBD01369 | Telaprevir |
|
Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Treating chronic hepatitis C virus (genotype 1) infection in patients with compensated liver (due to liver diseases like cirrhosis) that are treatment naive or have failed therapy with interferons (either null or partial responders and treatment relapsers). |
| FDBD01373 | Cariprazine |
|
Cariprazine is an atypical antipsychotic indicated for the treatment of schizophrenia and for the acute treatment of manic or mixed episodes associated with bipolar I | |
| FDBD01454 | Propylhexedrine |
|
; | It is used to provide temporary symptomatic relief of nasal congestion due to colds, allergies and allergic rhinitis. |
| FDBD01528 | Lurasidone |
|
Antipsychotic Agents; Adrenergic alpha-2 Receptor Antagonists; Nervous System; Psycholeptics; Indole Derivatives; Dopamine D2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; CYP3A4 Inhibitors; | Treatment of schizophrenia. |
| FDBD01534 | Spinosad |
|
Insecticides; Antiscabies Agents; Ectoparaciticides, Insecticides and Repellents; Antiparasitic Products, Insecticides and Repellents; Ectoparasiticides for Systemic Use; | Spinosad is indicated for the topical treatment of head lice in children four years old and over and in adults. |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmj_ligand_frag_1.mol2 | 2zmj | 1 | -7.69 | C1[C@H]2C[C@H]3C[C@@H]1C[C@H](C3)C2 | 10 |
| 5alz_ligand_frag_2.mol2 | 5alz | 1 | -7.67 | [C@@H]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 | 10 |
| 3hy5_ligand_frag_0.mol2 | 3hy5 | 1 | -7.64 | C1(CCC[C@H](C1)C)(C)C | 9 |
| 4ciz_ligand_frag_0.mol2 | 4ciz | 1 | -7.58 | C1(CCC[C@@H](C1)C)(C)C | 9 |
| 4y2x_ligand_frag_1.mol2 | 4y2x | 1 | -7.55 | C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3 | 10 |
| 5am3_ligand_frag_3.mol2 | 5am3 | 1 | -7.48 | C1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 | 10 |
| 4fxy_ligand_frag_4.mol2 | 4fxy | 1 | -7.47 | C1[C@@H]2C[C@@H]3C[C@H]1C[C@@H](C3)C2 | 10 |
254 ,
26
