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Compound Detail

CHEMBL4168346

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CC(=O)OCOC(=O)c1ccc(/C(Cl)=C/[C@@H]2C=C(C)C[C@H]3C[C@H](CCn4cc(-c5cccnc5)nn4)C=C[C@]32C(=O)OCOC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168346
Phase Preclinical
Structure Type MOL
InChI Key JLZYNWFAAMGGLS-QCNMDADRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

689.2
MW (Da)
5.90
ALogP
12
HBA
0
HBD
148.8
PSA (Ų)
0.13
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H37ClN4O8
MW 689.17
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness 0.29

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