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Compound Detail

CHEMBL358044

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Cc1cc(S(=O)(=O)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358044
Phase Preclinical
Structure Type MOL
InChI Key RXJZBSPJBNTCOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.46
ALogP
6
HBA
1
HBD
115.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N5O3S
MW 443.49
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
7473594 10.1021/jm00023a006 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine