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Compound Detail

CHEMBL148379

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CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nc(=O)[nH]o2)cc1

Basic Information

ChEMBL ID CHEMBL148379
Phase Preclinical
Structure Type MOL
InChI Key QACLZGHSHKEMJK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
4.94
ALogP
5
HBA
1
HBD
91.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O3
MW 444.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81120-3 Angiotensin II receptor (AT-1) type-1 1

Data from ChEMBL 36 via Core Engine