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Compound Detail

CHEMBL327488

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CCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)O

Basic Information

ChEMBL ID CHEMBL327488
Phase Preclinical
Structure Type MOL
InChI Key ZVAFXUKVSGFEAS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.82
ALogP
6
HBA
2
HBD
107.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O2
MW 442.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.93

Activity Summary

Kd 1 meas. best 9.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
Kd 9.07 9.07 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor Kd = 0.8511 nM 9.07 Potency to antagonize the ability of angiotensin II to contract rabbit aorta 8410980

Literature References

PubMed DOI Target Context # Activities
8410980 10.1021/jm00070a012 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine