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Compound Detail

CHEMBL5394828

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Cc1c(CO)cccc1-n1cccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394828
Phase Preclinical
Structure Type MOL
InChI Key AHBBKEMOTPYCDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
2.28
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NO
MW 187.24
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.68

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