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Compound Detail

CHEMBL214671

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CCCCOC(=O)NS(=O)(=O)c1sc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214671
Phase Preclinical
Structure Type MOL
InChI Key BECFIRDMFABPHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.7
MW (Da)
5.47
ALogP
8
HBA
1
HBD
99.5
PSA (Ų)
0.25
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 C27H29N3O5S2
MW 539.68
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
17125268 10.1021/jm0606185 Type-2 angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine