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Compound Detail

CHEMBL5423262

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Cc1c(COc2cc(OCc3cocn3)c(C=O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5423262
Phase Preclinical
Structure Type MOL
InChI Key WQWCOPXRSBPDLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.9
MW (Da)
6.05
ALogP
7
HBA
0
HBD
80.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22ClNO6
MW 491.93
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.50

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