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Compound Detail

CHEMBL2348640

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CCCc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1-c1sc(NC)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348640
Phase Preclinical
Structure Type MOL
InChI Key METVKPPIUTYYDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

418.6
MW (Da)
3.29
ALogP
8
HBA
3
HBD
122.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N6O2S2
MW 418.55
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.73

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