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Compound Detail

CHEMBL2283576

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CCCn1nc(C(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL2283576
Phase Preclinical
Structure Type MOL
InChI Key FBPHXLSMDYRNLG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.07
ALogP
4
HBA
2
HBD
92.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O4
MW 406.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.54

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
IC50 6.89 6.89 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0206-8 Angiotensin II receptor (AT-1) type-1 2

Data from ChEMBL 36 via Core Engine