Drug Information

Drug General Information
Drug ID
D00FOE
Former ID
DNC004107
Drug Name
COSALANE
Drug Type
Small molecular drug
Indication Discovery agent Terminated [545653]
Structure
Download
2D MOL

3D MOL
Formula
C45H60Cl2O6
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C<br />(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)[O-])C(=O)O)C)C.[N<br />H4+]
InChI
1S/C45H60Cl2O6.H3N/c1-25(2)8-6-9-26(3)35-14-15-36-32-13-12-30-20-27(16-18-44(30,4)37(32)17-19-45(35,36)5)10-7-11-31(28-21-33(42(50)51)40(48)38(46)23-28)29-22-34(43(52)53)41(49)39(47)24-29;/h11,21-27,30,32,35-37,48-49H,6-10,12-20H2,1-5H3,(H,50,51)(H,52,53);1H3/t26?,27-,30?,32?,35+,36?,37?,44-,45+;/m0./s1
InChIKey
FDKLYUPKBGZXPL-MWTJPPOVSA-N
PubChem Compound ID
72407
Target and Pathway
Target(s) C-C chemokine receptor type 1 Target Info Inhibitor [525947]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
NetPath Pathway IL5 Signaling Pathway
TCR Signaling Pathway
IL2 Signaling Pathway
TNFalpha Signaling Pathway
Leptin Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Reactome 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 545653Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004038)
Ref 525947Bioorg Med Chem Lett. 2001 Jan 8;11(1):59-62.Inhibition of RANTES/CCR1-mediated chemotaxis by cosalane and related compounds.

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