Details of the Drug

General Information of Drug (ID: DME9U7Y)

Drug Name
N-Carboxymethyl-N-cyclopentyl-phthalamic acid
Synonyms CHEMBL115153; N-Carboxymethyl-N-cyclopentyl-phthalamic acid
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) 291.3
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H17NO5
IUPAC Name
2-[carboxymethyl(cyclopentyl)carbamoyl]benzoic acid
Canonical SMILES
C1CCC(C1)N(CC(=O)O)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H17NO5/c17-13(18)9-16(10-5-1-2-6-10)14(19)11-7-3-4-8-12(11)15(20)21/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)(H,20,21)
InChIKey
KOAQPWKIMYZORZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44340905
TTD ID
D0K8ED

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.