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Compound Detail

CHEMBL266727

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CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C2=C(C(=O)O)C(C)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL266727
Phase Preclinical
Structure Type MOL
InChI Key YQEUKGSLGININM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
6.05
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29N3O2
MW 451.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
IC50 7.0 7.0 99.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17064065 10.1021/jm0603163 Angiotensin II receptor (AT-1) type-1 1

Data from ChEMBL 36 via Core Engine