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Compound Detail

CHEMBL88131

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CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88131
Phase Preclinical
Structure Type MOL
InChI Key RTYBAAWMUHJZGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
4.88
ALogP
4
HBA
1
HBD
86.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N3O4S
MW 511.69
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
10893306 10.1021/jm9904147 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine