Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Q0EB
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| Drug Name |
ICI-198583
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| Synonyms |
112887-62-4; CB-3819
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C25H24N4O6
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| Canonical SMILES |
CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1
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| InChI |
1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1
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| InChIKey |
PMTUUSDTAKQWQJ-NRFANRHFSA-N
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| CAS Number |
CAS 112887-62-4
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Thymidylate synthase (TYMS) | Target Info | Modulator | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The biochemical pharmacology of the thymidylate synthase inhibitor, 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583). Biochem Pharmacol. 1991 Oct 24;42(10):1885-95. | |||
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