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Compound Detail

CHEMBL4162625

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CC1=C[C@@H](/C=C(\Cl)c2ccc(C(=O)O)cc2)[C@]2(C(=O)O)C=C[C@@H](CCn3cc(-c4cccnc4)nn3)C[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162625
Phase Preclinical
Structure Type MOL
InChI Key IRYNKKXMHGUUCO-HBCKSDKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

545.0
MW (Da)
5.94
ALogP
6
HBA
2
HBD
118.2
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H29ClN4O4
MW 545.04
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.25

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