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Compound Detail

CHEMBL347392

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CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL347392
Phase Preclinical
Structure Type MOL
InChI Key TVCZOSYDEOWRTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

516.1
MW (Da)
6.46
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26ClN7S
MW 516.07
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8496939 10.1021/jm00057a009 Rattus norvegicus 4
8496939 10.1021/jm00057a009 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine