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Compound Detail

CHEMBL1812847

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O=C(Nc1ccccc1)C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812847
Phase Preclinical
Structure Type MOL
InChI Key FTWUXYZHDFCGSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.26
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O2
MW 240.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
21733699 10.1016/j.bmc.2011.06.012 Liver carboxylesterase 1 2
21733699 10.1016/j.bmc.2011.06.012 Cocaine esterase 2
21733699 10.1016/j.bmc.2011.06.012 Acetylcholinesterase 1
21733699 10.1016/j.bmc.2011.06.012 Cholinesterase 1
29551481 10.1016/j.bmcl.2018.03.002 Unchecked 1

Data from ChEMBL 36 via Core Engine