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Compound Detail

CHEMBL4170660

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COC(=O)c1ccc(/C(Cl)=C/[C@@H]2C=C(C)C[C@H]3C[C@H](CC(=O)Nc4cccnc4)C=C[C@]32C(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170660
Phase Preclinical
Structure Type MOL
InChI Key NIVGGBOPDNULRL-HFDDYEDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

535.0
MW (Da)
5.79
ALogP
6
HBA
1
HBD
94.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31ClN2O5
MW 535.04
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
29453135 10.1016/j.ejmech.2018.01.100 Bcl-2-like protein 1 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 Apoptosis regulator Bcl-2 1

Data from ChEMBL 36 via Core Engine