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Compound Detail

CHEMBL4061437

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COC(=O)CCCCCCC(=O)NNc1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061437
Phase Preclinical
Structure Type MOL
InChI Key WPAOOQSLASGUJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.20
ALogP
8
HBA
2
HBD
118.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N6O4
MW 458.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.07

Literature References

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

Data from ChEMBL 36 via Core Engine