Responsive image

Common name

propanal

IUPAC name

propanal

SMILES

O=CCC

Common name

propanal

IUPAC name

propanal

SMILES

O=CCC

INCHI

InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3

FORMULA

C3H6O

Responsive image

Common name

propanal

IUPAC name

propanal





Molecular weight

58.079

clogP

0.346

clogS

-0.439

Frequency

0.0065





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

17.07

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00218 Methadone Responsive image Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Drugs Used in Addictive Disorders; Opioids; Diphenylpropylamine Derivatives; Drugs Used in Opioid Dependence; 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; Antiemetics Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of dry cough, drug withdrawal syndrome, opioid type drug dependence, and pain.
FDBD00325 Droperidol Responsive image Antipsychotic Agents; Adjuvants, Anesthesia; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Nervous System; Psycholeptics; Butyrophenone Derivatives; Dopamine D2 Receptor Antagonists; Droperidol is ssed to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures.
FDBD00375 Haloperidol Responsive image Antipsychotic Agents; Antiemetics; Dopamine Antagonists; Anti-Dyskinesia Agents; Butyrophenones; Antidyskinetics; Nervous System; Psycholeptics; Butyrophenone Derivatives; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the management of psychotic disorders (eg. schizophrenia) and delirium, as well as to control tics and vocal utterances of Tourette's syndrome (Gilles de la Tourette's syndrome). Also used for the treatment of severe behavioural problems in children with disrubtive behaviour disorder or ADHD (attention-deficit hyperactivity disorder). Haloperidol has been used in the prevention and control of severe nausea and vomiting.
FDBD00510 Dyclonine Responsive image Anesthetics, Local; Anesthetics; Respiratory System; Throat Preparations; Nervous System; Used to provide topical anesthesia of accessible mucous membranes prior to examination, endoscopy or instrumentation, or other procedures involving the esophagus, larynx, mouth, pharynx or throat, respiratory tract or trachea, urinary tract, or vagina. Also used to suppress the gag reflex and/or other laryngeal and esophageal reflexes to facilitate dental examination or procedures (including oral surgery), endoscopy, or intubation. Also used for relief of canker sores, cold sores or fever blister.
FDBD00640 Propiomazine Responsive image Hypnotics and Sedatives; Adrenergic alpha-1 Receptor Antagonists; Histamine Antagonists; Antiemetics; Nervous System; Psycholeptics; Propiomazine is largely used for its antihistamininc sleep inducing effects in treating insomnia.
FDBD00754 Rimexolone Responsive image Glucocorticoids; Corticosteroids; Ophthalmologicals; Sensory Organs; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Corticosteroids, Plain; Antiinflammatory Agents; Corticosteroids for Systemic Use, Plain; Corticosteroids for Systemic Use; For the treatment of postoperative inflammation following ocular surgery and in the treatment of anterior uveitis.
FDBD00792 Diethylpropion Responsive image Appetite Depressants; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Used in the management of exogenous obesity as a short-term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction.
FDBD00846 Methyl aminolevulinate Responsive image Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Sensitizers Used in Photodynamic/radiation Therapy; For topical use, in combination with 570 to 670 nm wavelength red light illumination, in the treatment of non-hyperkeratotic actinic keratoses of the face and scalp in immunocompetent patients when used in conjunction with lesion preparation (debridement using a sharp dermal curette).
FDBD00887 Cerulenin Responsive image Antifungal Agents; Fatty Acid Synthesis Inhibitors; For use as a biochemical tool, Cerulenin is shown to cause dramatic weight loss in animals.
FDBD01003 Bupropion Responsive image Antidepressive Agents, Second-Generation; Dopamine Uptake Inhibitors; Alimentary Tract and Metabolism; Nervous System; Antidepressants; Psychoanaleptics; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; 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 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; For the treatment of depression and as aid to smoking cessation.
19 , 2
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1zz3_ligand_2_3.mol2 1zz3 1 -5.96 CCC=O 4
2ntf_ligand_2_45.mol2 2ntf 1 -5.81 CCC=O 4
2gh6_ligand_2_33.mol2 2gh6 1 -5.75 C(=O)CC 4
2rjp_ligand_1_8.mol2 2rjp 1 -5.71 C(=O)C(C)C 5
2wuf_ligand_2_7.mol2 2wuf 1 -5.62 CCC=O 4
4wx4_ligand_1_4.mol2 4wx4 1 -5.58 C(C)(C)C=O 5
139 , 14