Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X9MZ
|
|||
| Former ID |
DNC004089
|
|||
| Drug Name |
Cosalane derivative
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C59H70B2Cl2Na4O10
|
|||
| Canonical SMILES |
B(C1=CC(=CC=C1)COC2=C(C=C(C=C2Cl)C(=CCCC3CCC4(C(C3)CCC5C4CCC6(C5CCC6C(C)CCCC(C)C)C)C)C7=CC(=C(C(=C7)Cl)OCC8=CC=CC(=C8)B(O)[O-])C(=O)[O-])C(=O)[O-])(O)[O-].[Na+].[Na+].[Na+].[Na+]
|
|||
| InChI |
1S/C59H72B2Cl2O10.4Na/c1-35(2)10-6-11-36(3)49-20-21-50-46-19-18-42-26-37(22-24-58(42,4)51(46)23-25-59(49,50)5)12-9-17-45(40-29-47(56(64)65)54(52(62)31-40)72-33-38-13-7-15-43(27-38)60(68)69)41-30-48(57(66)67)55(53(63)32-41)73-34-39-14-8-16-44(28-39)61(70)71;;;;/h7-8,13-17,27-32,35-37,42,46,49-51,68,70H,6,9-12,18-26,33-34H2,1-5H3,(H,64,65)(H,66,67);;;;/q-2;4*+1/p-2/t36?,37-,42?,46?,49+,50?,51?,58-,59+;;;;/m0..../s1
|
|||
| InChIKey |
ABZNJZXRGKGMJC-MCUHGXDSSA-L
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 1 (CCR1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Inhibition of RANTES/CCR1-mediated chemotaxis by cosalane and related compounds. Bioorg Med Chem Lett. 2001 Jan 8;11(1):59-62. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.