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Compound Detail

CHEMBL149169

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CCCSc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nsc(O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149169
Phase Preclinical
Structure Type MOL
InChI Key ZDUBFJKUNRUTLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
6.18
ALogP
8
HBA
2
HBD
101.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O3S2
MW 502.62
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.21

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