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Compound Detail

CHEMBL272885

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NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cc(Oc4ccccc4)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272885
Phase Preclinical
Structure Type MOL
InChI Key YGIRSICDKYFKJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
2.89
ALogP
6
HBA
3
HBD
122.9
PSA (Ų)
0.56
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 C20H16N4O4S
MW 408.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.20

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