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Compound Detail

CHEMBL304360

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CCOc1nc2cc(C(=O)O)ccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL304360
Phase Preclinical
Structure Type MOL
InChI Key WGAVDXWIDUTDIS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.03
ALogP
7
HBA
2
HBD
118.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N6O3
MW 440.46
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.11

Activity Summary

IC50 2 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 6.72 6.72 191.0 1
Type-1 angiotensin II receptor
CHEMBL3374
IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8340921 10.1021/jm00067a016 Rattus norvegicus 2
8340921 10.1021/jm00067a016 Type-1 angiotensin II receptor 1
8340921 10.1021/jm00067a016 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine