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Compound Detail

CHEMBL2377832

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Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377832
Phase Preclinical
Structure Type MOL
InChI Key RKBALHPGBQMZOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.85
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3OS
MW 345.43
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
23600925 10.1021/jm301234k CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine