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Compound Detail

CHEMBL222989

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

Basic Information

ChEMBL ID CHEMBL222989
Phase Preclinical
Structure Type MOL
InChI Key KYAMYNWIAQNFEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
0.30
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.70
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 C10H7NO4
MW 205.17
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.64

Pharmacokinetic Data

Parameter Value Units Species
CL 26.92 uL.min-1.(10^6cells)-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
17378546 10.1021/jm061471k Unchecked 2
17378546 10.1021/jm061471k Liver carboxylesterase 1 1
17378546 10.1021/jm061471k Acetylcholinesterase 1
17378546 10.1021/jm061471k Cholinesterase 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine