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Compound Detail

CHEMBL217084

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CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(S(=O)(=O)NC(=O)OCCCC(F)(F)F)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217084
Phase Preclinical
Structure Type MOL
InChI Key XHNUQRWWXICBMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
5.62
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.34
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 C23H26F3N3O4S2
MW 529.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.07

Literature References

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

Data from ChEMBL 36 via Core Engine