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Compound Detail

CHEMBL143083

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CCCCC1=NC(C)=C(C(=O)OCC)C(C)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL143083
Phase Preclinical
Structure Type MOL
InChI Key XVEBEOQWNQXWIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
5.68
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O4
MW 448.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.58

Activity Summary

Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
 Ki 6.0 6.0 990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor B Ki = 990.0 nM 6.0 Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal cortical me... 1469703

Literature References

PubMed DOI Target Context # Activities
1469703 10.1021/jm00103a014 Type-1 angiotensin II receptor B 1
1469703 10.1021/jm00103a014 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine