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Compound Detail

CHEMBL5396580

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Cc1c(COc2cc(OCc3cccc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(C#N)c4)c(C=O)cc3Cl)ncnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396580
Phase Preclinical
Structure Type MOL
InChI Key NILJWFMCXJNWSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

805.7
MW (Da)
10.81
ALogP
10
HBA
0
HBD
144.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H30Cl2N4O6
MW 805.67
Aromatic Rings 7
Heavy Atoms 58
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
38628793 10.1021/acsmedchemlett.4c00014 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine