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Compound Detail

CHEMBL84849

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CCCCc1cn(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(CCCC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84849
Phase Preclinical
Structure Type MOL
InChI Key ILRRJRJUNNUFQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

656.9
MW (Da)
9.78
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H44N6
MW 656.88
Aromatic Rings 7
Heavy Atoms 50
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80290-0 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine