Details of the Drug

General Information of Drug (ID: DMQ8CD3)

Drug Name
[Cyclopentyl-(2-nitro-benzoyl)-amino]-acetic acid
Synonyms CHEMBL324703; [Cyclopentyl-(2-nitro-benzoyl)-amino]-acetic acid; BDBM50020839
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) 292.29
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H16N2O5
IUPAC Name
2-[cyclopentyl-(2-nitrobenzoyl)amino]acetic acid
Canonical SMILES
C1CCC(C1)N(CC(=O)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H16N2O5/c17-13(18)9-15(10-5-1-2-6-10)14(19)11-7-3-4-8-12(11)16(20)21/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKey
QLSOVPLMYSMOSO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44340887
TTD ID
D0U7TM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin-converting enzyme (ACE) TTL69WB ACE_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
Angiotensin-converting enzyme (ACE) DTT SLC33A1 2.62E-01 -0.01 -0.06
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Angiotensin converting enzyme inhibitors. (Mercaptoaroyl)amino acids. J Med Chem. 1985 Mar;28(3):328-32.