Details of the Drug

General Information of Drug (ID: DMFDA4Y)

Drug Name
SR-2640
Synonyms
SR 2640; SR-2640; SR 2640 Hydrochloride; 105350-26-3; CHEMBL18132; SR2640; Benzoic acid, 2-[[3-(2-quinolinylmethoxy)phenyl]amino]-; QMPB; Benzoic acid, 2-((3-(2-quinolinylmethoxy)phenyl)amino)-; SR-01000076219; Tocris-1804; Lopac-S-7690; AC1L2TN9; Lopac0_001079; 2-(3-(2-Quinolylmethoxy)phenylamino)benzoic acid; MLS002153402; cid_128355; GTPL3329; SCHEMBL9119607; CTK8F0698; CHEBI:104023; HMS3263G20; HMS2236C03; ZINC596951; HMS3373N15; Tox21_501079; BDBM50006798; AKOS030239522; LP01079; CCG-205156; NCGC00015965-02; NCGC00015965-04
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 370.4
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H18N2O3
IUPAC Name
2-[3-(quinolin-2-ylmethoxy)anilino]benzoic acid
Canonical SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)
InChIKey
LMPZHLXYBWGGNT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
128355
ChEBI ID
CHEMBL18132
CAS Number
105350-26-3
TTD ID
D00MHP
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leukotriene receptor (LTR) TTTWGIX NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3329).
2 Effect of the leukotriene LTD4/LTE4 antagonist, SR 2640, in ulcerative colitis: an open clinical study. Prostaglandins Leukot Essent Fatty Acids. 1991 Mar;42(3):181-4.