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Compound Detail

CHEMBL5436818

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Cc1c(COc2cc(OCc3cccc(C#N)c3)c(C=O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5436818
Phase Preclinical
Structure Type MOL
InChI Key WABVDNNFVSLISO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.0
MW (Da)
6.93
ALogP
6
HBA
0
HBD
77.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H24ClNO5
MW 525.99
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
38442487 10.1021/acs.jmedchem.3c02342 No relevant target 1
38442487 10.1021/acs.jmedchem.3c02342 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine