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Compound Detail

CHEMBL4091219

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CSc1sc(C(N)=O)c2c1-c1nn(C)cc1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091219
Phase Preclinical
Structure Type MOL
InChI Key UKEVEUBBJJQOLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
2.07
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3OS2
MW 279.39
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
28302507 10.1016/j.bmc.2017.02.038 Cyclin-dependent kinase 8 1
28302507 10.1016/j.bmc.2017.02.038 CDK8/Cyclin C 1
28302507 10.1016/j.bmc.2017.02.038 Cyclin-C/Cyclin-dependent kinase 19 1

Data from ChEMBL 36 via Core Engine