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Compound Detail

CHEMBL350220

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COc1ccc(NC(=O)N2Cc3ccc(OC)c(OCc4ccccc4)c3CC2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL350220
Phase Preclinical
Structure Type MOL
InChI Key PSJJMQJLCQVKBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
4.33
ALogP
5
HBA
2
HBD
97.3
PSA (Ų)
0.54
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 C26H26N2O6
MW 462.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL4607
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-2 angiotensin II receptor IC50 = 1100.0 nM 5.96 Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uteri... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81122-7 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine