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Compound Detail

CHEMBL4159296

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COC(=O)c1ccc(/C(Cl)=C/[C@@H]2C=C(C)C[C@H]3C[C@H](CCO)C=C[C@]32C(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159296
Phase Preclinical
Structure Type MOL
InChI Key VTIMBDAHWSFYIR-JRTCFLHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.0
MW (Da)
4.75
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29ClO5
MW 444.96
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.23

Literature References

PubMed DOI Target Context # Activities
29453135 10.1016/j.ejmech.2018.01.100 Apoptosis regulator Bcl-2 1
29453135 10.1016/j.ejmech.2018.01.100 Induced myeloid leukemia cell differentiation protein Mcl-1 homolog 1
29453135 10.1016/j.ejmech.2018.01.100 Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine