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Compound Detail

CHEMBL4649522

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Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3C[C@@H](O)C[C@H]3C(=O)O)cc2Cl)cccc1-c1cncnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649522
Phase Preclinical
Structure Type MOL
InChI Key OBPJJDVWRFYYQT-WNJJXGMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

585.1
MW (Da)
5.15
ALogP
8
HBA
2
HBD
128.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H29ClN4O5
MW 585.06
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
32667799 10.1021/acs.jmedchem.0c00574 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine