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Compound Detail

CHEMBL358335

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CCCCC1=NC(Cl)=C(C(=O)O)C(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL358335
Phase Preclinical
Structure Type MOL
InChI Key FFGOUCLZEVSODP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

465.0
MW (Da)
4.86
ALogP
6
HBA
2
HBD
107.4
PSA (Ų)
0.46
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 C24H25ClN6O2
MW 464.96
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.60

Activity Summary

Ki 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL227
Ki 9.0 9.0 1.0 1
Type-1 angiotensin II receptor B
CHEMBL263
Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1469703 10.1021/jm00103a014 Rattus norvegicus 5
21071232 10.1016/j.bmc.2010.10.043 Type-1 angiotensin II receptor 4
21071232 10.1016/j.bmc.2010.10.043 Rattus norvegicus 2
1469703 10.1021/jm00103a014 Type-1 angiotensin II receptor B 1
1469703 10.1021/jm00103a014 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine