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Compound Detail

CHEMBL4866188

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O=C(O)[C@H]1CCCN1Cc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866188
Phase Preclinical
Structure Type MOL
InChI Key PDVMWERMKWNODJ-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
4.06
ALogP
5
HBA
1
HBD
73.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O3S
MW 433.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
33938739 10.1021/acs.jmedchem.0c01958 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1
33938739 10.1021/acs.jmedchem.0c01958 Jurkat 1

Data from ChEMBL 36 via Core Engine