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Compound Detail

CHEMBL166502

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CCNC(=O)N1C(=O)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166502
Phase Preclinical
Structure Type MOL
InChI Key DZEHOACOQBAKNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.62
ALogP
6
HBA
2
HBD
130.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O6
MW 390.40
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 13.0 nM 7.89 Antihypertensive activity when administered orally to spontaneously hypertensive... 1995904

Literature References

PubMed DOI Target Context # Activities
1995904 10.1021/jm00106a048 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine