Details of the Drug

General Information of Drug (ID: DM04WVH)

Drug Name
5-Carbazol-9-yl-pentanoic acid
Synonyms CHEMBL184795; 5-Carbazol-9-yl-pentanoic acid; SCHEMBL12951764; BDBM50152858
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) 267.32
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H17NO2
IUPAC Name
5-carbazol-9-ylpentanoic acid
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCCC(=O)O
InChI
InChI=1S/C17H17NO2/c19-17(20)11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2,(H,19,20)
InChIKey
YEPJVQJMLQBLOE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
28971834
ChEBI ID
CHEMBL184795
TTD ID
D00ORM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid-binding protein 4 (FABP4) TTHWMFZ FABP4_HUMAN Inhibitor [1]
Fatty acid-binding protein 5 (FABP5) TTNT2S6 FABP5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4445-8.