Details of the Drug

General Information of Drug (ID: DMKF3TD)

Drug Name
Nafagrel
Synonyms Nafagrel hydrochloride; DP-1904; SR-96325
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 256.3
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H16N2O2
IUPAC Name
6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Canonical SMILES
C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O
InChI
InChI=1S/C15H16N2O2/c18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17/h3-6,8,10-11H,1-2,7,9H2,(H,18,19)
InChIKey
VJJHOPPXRPHVCA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65851
CAS Number
97901-21-8
TTD ID
D0DT2P

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Isomerase unspecific (IsoM) TT2GVH5 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000433)
2 FMLP actions and its binding sites in isolated human coronary arteries. J Mol Cell Cardiol. 1997 Mar;29(3):881-94.