Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0H5WL
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| Former ID |
DNC004539
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| Drug Name |
NSC-651016
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| Indication | Discovery agent | Investigative | [534649] | ||
| 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(<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+]
|
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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 | |||||
| Target(s) | C-C chemokine receptor type 2 | Target Info | Inhibitor | [534649] | |
| References | |||||
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