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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:104023
CAS Number: 105350-26-3
TTD ID: D00MHP

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.