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Compound Detail

CHEMBL271778

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NC(=O)c1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271778
Phase Preclinical
Structure Type MOL
InChI Key OZSLNXHNDFPMPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
0.20
ALogP
6
HBA
4
HBD
156.7
PSA (Ų)
0.57
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 C15H13N5O4S
MW 359.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
15115396 10.1021/jm0304358 Cyclin-dependent kinase 2 1
11728181 10.1021/jm010117d Cyclin-dependent kinase 1 1
11728181 10.1021/jm010117d Cyclin-dependent kinase 2 1
18271520 10.1021/jm070654j Cyclin-dependent kinase 1 1
18271520 10.1021/jm070654j Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine