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Compound Detail

CHEMBL1668124

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CCc1cc(Oc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ncccc2n1

Basic Information

ChEMBL ID CHEMBL1668124
Phase Preclinical
Structure Type MOL
InChI Key UUDFDLRPRBJIQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.83
ALogP
6
HBA
1
HBD
89.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N6O
MW 394.44
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21071232 10.1016/j.bmc.2010.10.043 Type-1 angiotensin II receptor 1
21071232 10.1016/j.bmc.2010.10.043 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine