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Compound Detail

CHEMBL227678

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N#CC(C#N)=Cc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227678
Phase Preclinical
Structure Type MOL
InChI Key YDLSOCFKTHTTLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
6.61
ALogP
3
HBA
1
HBD
67.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClN2O
MW 414.94
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
17489579 10.1021/jm0613323 KG-1 6
17489579 10.1021/jm0613323 MDA-MB-231 2
17489579 10.1021/jm0613323 NON-PROTEIN TARGET 2
17489579 10.1021/jm0613323 DU-145 2

Data from ChEMBL 36 via Core Engine