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Compound Detail

CHEMBL294598

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CCCSc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1

Basic Information

ChEMBL ID CHEMBL294598
Phase Preclinical
Structure Type MOL
InChI Key ZUEGKGVBQLGFDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
5.71
ALogP
8
HBA
2
HBD
114.3
PSA (Ų)
0.27
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 C26H22N4O4S
MW 486.55
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 6.07 6.07 850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 850.0 nM 6.07 Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angio... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00319-O Rattus norvegicus 2
- 10.1016/0960-894X(95)00319-O Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine