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Compound Detail

CHEMBL4638714

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Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN[C@H](CO)C(=O)O)cc2Cl)cccc1-c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4638714
Phase Preclinical
Structure Type MOL
InChI Key NCSBPKRMLGFVBB-MUUNZHRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

558.0
MW (Da)
5.28
ALogP
7
HBA
3
HBD
124.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28ClN3O5
MW 558.03
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.85

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