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Compound Detail

CHEMBL126104

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CCCCc1nc(SCc2ccc(-c3ccccc3C(=O)OC)cc2)nn1Cc1ccc(-c2ccccc2C(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126104
Phase Preclinical
Structure Type MOL
InChI Key DQHBVWBESLETAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

605.8
MW (Da)
7.87
ALogP
8
HBA
0
HBD
83.3
PSA (Ų)
0.11
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 C36H35N3O4S
MW 605.76
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -0.86

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