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Compound Detail

CHEMBL28391

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CCCCc1nc(Cl)c(COC)n1Cc1ccc(C(=O)Nc2cccc(C)c2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28391
Phase Preclinical
Structure Type MOL
InChI Key SRCFDOKQABYCML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
5.33
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClN3O4
MW 469.97
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 500.0 nM 6.3 Inhibitory concentration that gave 50 percent displacement of specific binding o... 2329553

Literature References

PubMed DOI Target Context # Activities
2329553 10.1021/jm00167a007 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine