Drug Information

Drug General Information
Drug ID
D0S8QZ
Former ID
DIB019410
Drug Name
compound 2b-1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526561], [540503]
Structure
Download
2D MOL
Formula
C36H48N4O3
InChI
InChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+/t27-,34?/m0/s1
InChIKey
AAPRNHKWNGDTOT-UXYOARKHSA-N
PubChem Compound ID
73755059
PubChem Substance ID
178100585
Target and Pathway
Target(s) CC chemokine receptor Target Info Antagonist [526561]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Reactome Beta defensins
Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 526561Structure-activity relationships of xanthene carboxamides, novel CCR1 receptor antagonists. Bioorg Med Chem. 2003 Mar 20;11(6):875-84.
Ref 540503(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: 3696).
Ref 526561Structure-activity relationships of xanthene carboxamides, novel CCR1 receptor antagonists. Bioorg Med Chem. 2003 Mar 20;11(6):875-84.

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