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Compound Detail

CHEMBL434815

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CCCCc1nc2ccc(N3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL434815
Phase Preclinical
Structure Type MOL
InChI Key AARLGRJNBAYPPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
6.78
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.31
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 C30H33N3O2
MW 467.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8258826 10.1021/jm00077a007 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine