Details of the Drug

General Information of Drug (ID: DMNUO79)

Drug Name
(1-Amino-3-methyl-butyl)-phosphinic acid
Synonyms AC1O4HVH; Phosphinic acid, P-(1-amino-3-methylbutyl)-; SCHEMBL5037193; 80744-65-6
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) 149.13
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H12NO2P
IUPAC Name
3-methylbutanimidoylphosphonous acid
Canonical SMILES
CC(C)CC(=N)P(O)O
InChI
InChI=1S/C5H12NO2P/c1-4(2)3-5(6)9(7)8/h4,6-8H,3H2,1-2H3
InChIKey
UMMREILHNONHFP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54361028
TTD ID
D0N3UO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aminopeptidase N (ANPEP) TTPHMWB AMPN_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aminopeptidase N (ANPEP) DTT ANPEP 8.84E-07 -0.3 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design of the first highly potent and selective aminopeptidase N (EC 3.4.11.2) inhibitor. Bioorg Med Chem Lett. 1999 Jun 7;9(11):1511-6.