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Compound Detail

CHEMBL79466

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NC(=O)CN1C(=O)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79466
Phase Preclinical
Structure Type MOL
InChI Key PFDMWGKCXRICRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
-0.30
ALogP
3
HBA
1
HBD
80.5
PSA (Ų)
0.67
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 C10H8N2O3
MW 204.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
17378546 10.1021/jm061471k Unchecked 2
11086715 10.1016/s0960-894x(00)00523-0 Chymotrypsin-C 1
11086715 10.1016/s0960-894x(00)00523-0 Neutrophil elastase 1
11086715 10.1016/s0960-894x(00)00523-0 Plasminogen 1
17378546 10.1021/jm061471k Liver carboxylesterase 1 1
17378546 10.1021/jm061471k Acetylcholinesterase 1
17378546 10.1021/jm061471k Cholinesterase 1

Data from ChEMBL 36 via Core Engine