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Compound Detail

CHEMBL70252

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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(C)C(C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70252
Phase Preclinical
Structure Type MOL
InChI Key PFLDPOZALLKJHW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.48
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O2
MW 365.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
 IC50 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor (AT-1) type-1 IC50 = 430.0 nM 6.37 Inhibitory concentration was evaluated by measuring displacement of [3H]AII from... 8667363

Literature References

PubMed DOI Target Context # Activities
8667363 10.1021/jm9508853 Angiotensin II receptor (AT-1) type-1 1
8667363 10.1021/jm9508853 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine