Drug Information

Drug General Information
Drug ID
D0L0MW
Former ID
DNC000966
Drug Name
MTdU
Drug Type
Small molecular drug
Indication Discovery agent Investigative [538114]
Structure
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2D MOL

3D MOL
Formula
C40H38F5N3O3S
Canonical SMILES
COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=<br />O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F
InChI
1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3
InChIKey
NNBGCSGCRSCFEA-UHFFFAOYSA-N
CAS Number
CAS 412950-08-4
PubChem Compound ID
9918381
PubChem Substance ID
14888857, 24196670, 45990024, 47207389, 77392632, 126680405, 134338734, 134339163, 134340244, 135207366, 137263918, 139723639, 160698001, 162852961, 170503332, 178103948, 185997050, 198952399, 223669859, 228878338, 241081627, 244643341
SuperDrug ATC ID
J04AB02
SuperDrug CAS ID
cas=013292461
Target and Pathway
Target(s) Thymidine kinase Target Info Inhibitor [538114]
References
Ref 538114Trichomonas vaginalis thymidine kinase: purification, characterization and search for inhibitors. Biochem J. 1998 Aug 15;334 ( Pt 1):15-22.
Ref 538114Trichomonas vaginalis thymidine kinase: purification, characterization and search for inhibitors. Biochem J. 1998 Aug 15;334 ( Pt 1):15-22.

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