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Compound Detail

CHEMBL296666

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CCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296666
Phase Preclinical
Structure Type MOL
InChI Key HGMVCCYVQGIANG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.79
ALogP
7
HBA
3
HBD
83.0
PSA (Ų)
0.66
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 C16H17N5OS
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
15027857 10.1021/jm0309957 Cyclin-dependent kinase 2 1
15027857 10.1021/jm0309957 Cyclin-dependent kinase 4 1
15027857 10.1021/jm0309957 Homo sapiens 1

Data from ChEMBL 36 via Core Engine