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Compound Detail

CHEMBL89404

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CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(F)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89404
Phase Preclinical
Structure Type MOL
InChI Key BBGNUQCNZXJBOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.18
ALogP
6
HBA
2
HBD
107.9
PSA (Ų)
0.43
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 C23H21FN6O2
MW 432.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

Kd 1 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
 Kd 9.04 9.04 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor Kd = 0.912 nM 9.04 Potency to antagonize the ability of angiotensin II to contract rabbit aorta 8410980

Literature References

PubMed DOI Target Context # Activities
8410980 10.1021/jm00070a012 Rattus norvegicus 2
8410980 10.1021/jm00070a012 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine