Drug General Information
Drug ID
D0R0TF
Former ID
DNC000336
Drug Name
BN50727
Drug Type
Small molecular drug
Indication Inflammatory bowel disease [ICD9: 555, 556; ICD10:K50, K51] Discontinued in Phase 2 [545900]
Structure
Download
2D MOL

3D MOL

Formula
C26H23ClN6O2S
Canonical SMILES
CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=O)NC5=CC=C(C=C5)OC)C(<br />=NC2)C6=CC=CC=C6Cl
InChI
1S/C26H23ClN6O2S/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(34)29-16-7-9-17(35-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,34)
InChIKey
DDJKTQDAEYPACV-UHFFFAOYSA-N
CAS Number
CAS 137281-23-3
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Platelet-activating factor receptor Target Info Modulator
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Staphylococcus aureus infection
NetPath Pathway IL5 Signaling Pathway
Leptin Signaling Pathway
Reactome Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events
Interferon gamma signaling
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Small Ligand GPCRs
Interferon gamma signaling
GPCR ligand binding
GPCR downstream signaling
References
Ref 545900Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005290)

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.