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Compound Detail

CHEMBL347703

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CCCCc1nc(Cl)c(C(=O)O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1

Basic Information

ChEMBL ID CHEMBL347703
Phase Preclinical
Structure Type MOL
InChI Key AIGVXGCHRIOQNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

475.9
MW (Da)
4.75
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.33
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 C24H22ClN7O2
MW 475.94
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.23

Activity Summary

Ki 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
Ki 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8576904 10.1021/jm9504722 Angiotensin II receptor (AT-1) type-1 1
8576904 10.1021/jm9504722 Oryctolagus cuniculus 1
8576904 10.1021/jm9504722 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine