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Compound Detail

CHEMBL2347596

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CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347596
Phase Preclinical
Structure Type MOL
InChI Key HVCCBYPTQRNASA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
2.05
ALogP
9
HBA
4
HBD
143.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N6O3S2
MW 392.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
23301767 10.1021/jm301475f HCT-116 1
23301767 10.1021/jm301475f Cyclin-dependent kinase 7/ cyclin H 1
23301767 10.1021/jm301475f Cyclin-dependent kinase 2/cyclin A 1
23301767 10.1021/jm301475f Cyclin-dependent kinase 1/cyclin B1 1
23301767 10.1021/jm301475f CDK9/cyclin T1 1

Data from ChEMBL 36 via Core Engine