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Compound Detail

CHEMBL4160437

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CC(=O)OCOC(=O)c1ccc(/C(Cl)=C/[C@@H]2C=C(C)C[C@H]3C[C@H](CCn4cc(Cc5ccccc5)nn4)C=C[C@]32C(=O)OCOC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160437
Phase Preclinical
Structure Type MOL
InChI Key SPHPOFIEIUWULW-XDWIQRAOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

702.2
MW (Da)
6.43
ALogP
11
HBA
0
HBD
135.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H40ClN3O8
MW 702.20
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness 0.45

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