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Compound Detail

CHEMBL4066542

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COC(=O)CCCCCCC(=O)Nc1ccccc1Nc1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066542
Phase Preclinical
Structure Type MOL
InChI Key WDNPBGHSZPCIJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.7
MW (Da)
5.44
ALogP
8
HBA
2
HBD
118.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N6O4
MW 534.66
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
29518312 10.1021/acs.jmedchem.8b00209 CDK4/Cyclin D3 1

Data from ChEMBL 36 via Core Engine