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Compound Detail

CHEMBL158267

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CCCCc1nnc(SCc2ccccc2CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL158267
Phase Preclinical
Structure Type MOL
InChI Key UZSYRMIOPIDJBT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
5.30
ALogP
8
HBA
2
HBD
105.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N7OS
MW 511.66
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine