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Compound Detail

CHEMBL327670

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

Basic Information

ChEMBL ID CHEMBL327670
Phase Preclinical
Structure Type MOL
InChI Key QIYZYCHTRXUKCO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.16
ALogP
6
HBA
1
HBD
87.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O
MW 398.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.11

Activity Summary

Kd 1 meas. best 8.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
Kd 8.56 8.56 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor Kd = 2.754 nM 8.56 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
8410980 10.1021/jm00070a012 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine