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
UNII
DEM9NIT1J4
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.