Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H5WL
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| Former ID |
DNC004539
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| Drug Name |
NSC-651016
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| Synonyms |
CHEMBL262118
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C43H32N10Na4O17S4
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| Canonical SMILES |
CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CN4)NC(=O)NC5=CNC(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
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| 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
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| InChIKey |
QHDNOGPTZQFRDE-UHFFFAOYSA-J
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 2 (CCR2) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Inhibition of in vitro and in vivo HIV replication by a distamycin analogue that interferes with chemokine receptor function: a candidate for chemo... J Med Chem. 1998 Jun 18;41(13):2184-93. | |||
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