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Compound Detail

CHEMBL40654

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O=C(CNC(=O)CNC(=O)OCc1ccccc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40654
Phase Preclinical
Structure Type MOL
InChI Key OAJZZOPCORHONA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
-0.47
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O5
MW 281.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.70

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11931613 10.1021/jm011039x Thermolysin 1
12213058 10.1021/jm020808p Glycogen phosphorylase, brain form 1

Data from ChEMBL 36 via Core Engine