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Compound Detail

CHEMBL358902

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Cc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(S)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358902
Phase Preclinical
Structure Type MOL
InChI Key ZVSPAAWCNRGCEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
5.10
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N4O3S
MW 442.50
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
8978851 10.1021/jm960547h Angiotensin II receptor 2
8978851 10.1021/jm960547h Unchecked 1

Data from ChEMBL 36 via Core Engine