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Compound Detail

CHEMBL366210

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CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL366210
Phase Preclinical
Structure Type MOL
InChI Key GYYMIIBRTOAMTB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

525.7
MW (Da)
6.23
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.25
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 C27H31N3O4S2
MW 525.70
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.92

Activity Summary

Ki 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL4607
Ki 8.4 8.4 4.0 1
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15537354 10.1021/jm049715t Angiotensin II receptor (AT-1) type-1 1
15537354 10.1021/jm049715t Type-2 angiotensin II receptor 1
15537354 10.1021/jm049715t Unchecked 1

Data from ChEMBL 36 via Core Engine