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Compound Detail

CHEMBL283770

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COCc1c(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C

Basic Information

ChEMBL ID CHEMBL283770
Phase Preclinical
Structure Type MOL
InChI Key NMSVIIOZSZCAID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.27
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O2
MW 401.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 7.07 7.07 86.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8487261 10.1021/jm00061a016 Type-1 angiotensin II receptor 1
8487261 10.1021/jm00061a016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine