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Compound Detail

CHEMBL365529

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Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cn3)ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365529
Phase Preclinical
Structure Type MOL
InChI Key MWWBIYSSYVBBPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
5.11
ALogP
7
HBA
1
HBD
75.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27BrN6O
MW 483.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
15801831 10.1021/jm049354h Cyclin-dependent kinase 4/cyclin D 1
15801831 10.1021/jm049354h Cyclin-dependent kinase 2/cyclin A 1
15801831 10.1021/jm049354h MDA-MB-435 1

Data from ChEMBL 36 via Core Engine