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Compound Detail

CHEMBL5568952

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Cc1ccc(Nc2nc(C(=O)NCc3ccccc3)cc3occc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5568952
Phase Preclinical
Structure Type MOL
InChI Key WPNHQYGRMITXDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.81
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2
MW 357.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
38265364 10.1021/acs.jmedchem.3c01850 Cocaine esterase 4
38265364 10.1021/acs.jmedchem.3c01850 Caspase-8 1
38265364 10.1021/acs.jmedchem.3c01850 Acetylcholinesterase 1
38265364 10.1021/acs.jmedchem.3c01850 PANC-1 1

Data from ChEMBL 36 via Core Engine