Details of the Drug

General Information of Drug (ID: DMZ8IL9)

Drug Name
1-Hydroxy-3-Methylbutane
Synonyms
3-Methyl-1-butanol; Isoamyl alcohol; Isopentyl alcohol; 3-Methylbutan-1-ol; Isopentanol; 123-51-3; 3-Methylbutanol; 1-Butanol, 3-methyl-; Isoamylol; Isobutylcarbinol; Fusel Oil; Iso-amylalkohol; Isobutyl carbinol; Iso-amyl alcohol; 2-Methyl-4-butanol; ISOAMYLALCOHOL; Alcool isoamylique; Fermentation amyl alcohol; Isoamyl alkohol; Amylowy alkohol; Alcool amilico; i-Amyl Alcohol; Primary isoamyl alcohol; 3-Metil-butanolo; isopentan-1-ol; Isoamyl alcohol (natural); 1-Hydroxy-3-Methylbutane; Isoamyl alcohol, primary; FEMA Number 2057
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 88.15
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C5H12O
IUPAC Name
3-methylbutan-1-ol
Canonical SMILES
CC(C)CCO
InChI
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
PHTQWCKDNZKARW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
31260
ChEBI ID
CHEBI:15837
CAS Number
123-51-3
DrugBank ID
DB02296
TTD ID
D0V4EK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensinogenase renin (REN) TTB2MXP RENI_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.