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Compound Detail

CHEMBL341407

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CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL341407
Phase Preclinical
Structure Type MOL
InChI Key OMUMLNYJHYDQDZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.30
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O
MW 408.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
IC50 6.62 6.62 240.0 1
Type-2 angiotensin II receptor
CHEMBL257
IC50 5.05 5.05 8900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8277505 10.1021/jm00078a013 Type-1 angiotensin II receptor 1
8277505 10.1021/jm00078a013 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine