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Compound Detail

CHEMBL570537

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CC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570537
Phase Preclinical
Structure Type MOL
InChI Key KEHNGAHNKVLUSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.17
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3OS
MW 275.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
19572549 10.1021/jm900314j Serine/threonine-protein kinase Chk1 3
23600925 10.1021/jm301234k CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine