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Compound Detail

CHEMBL124626

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CCCCCc1nc(SCc2ccc(-c3ccccc3C(=O)O)cc2)nn1Cc1ccc(-c2ccccc2C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124626
Phase Preclinical
Structure Type MOL
InChI Key YIKJUXVZRGSFKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

572.7
MW (Da)
8.26
ALogP
6
HBA
1
HBD
91.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H32N4O2S
MW 572.73
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80915-X Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine