Drug General Information
Drug ID
D0H5WL
Former ID
DNC004539
Drug Name
NSC-651016
Indication Discovery agent Investigative [534649]
Structure
Download
2D MOL

3D MOL

Formula
C43H32N10Na4O17S4
Canonical SMILES
CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(<br />=O)(=O)[O-])NC(=O)C4=CC(=CN4)NC(=O)NC5=CNC(=C5)C(=O)NC6<br />=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=<br />O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
InChI
1S/C43H36N10O17S4.4Na/c1-52-19-23(13-35(52)41(56)50-31-7-9-37(73(65,66)67)29-15-25(71(59,60)61)3-5-27(29)31)46-39(54)33-11-21(17-44-33)48-43(58)49-22-12-34(45-18-22)40(55)47-24-14-36(53(2)20-24)42(57)51-32-8-10-38(74(68,69)70)30-16-26(72(62,63)64)4-6-28(30)32;;;;/h3-20,44-45H,1-2H3,(H,46,54)(H,47,55)(H,50,56)(H,51,57)(H2,48,49,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4
InChIKey
QHDNOGPTZQFRDE-UHFFFAOYSA-J
PubChem Compound ID
Target and Pathway
Target(s) C-C chemokine receptor type 2 Target Info Inhibitor [534649]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
Leptin Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Reactome Beta defensins
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Defensins
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 534649J Med Chem. 1998 Jun 18;41(13):2184-93.Inhibition of in vitro and in vivo HIV replication by a distamycin analogue that interferes with chemokine receptor function: a candidate for chemotherapeutic and microbicidal application.
Ref 534649J Med Chem. 1998 Jun 18;41(13):2184-93.Inhibition of in vitro and in vivo HIV replication by a distamycin analogue that interferes with chemokine receptor function: a candidate for chemotherapeutic and microbicidal application.

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