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Compound Detail

CHEMBL315924

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CCCCn1nc(C(CCC)CC2=NC(C)(C)CO2)n(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315924
Phase Preclinical
Structure Type MOL
InChI Key KYAKGVHMZAVIIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

785.0
MW (Da)
9.54
ALogP
10
HBA
0
HBD
105.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H52N8O2
MW 785.01
Aromatic Rings 7
Heavy Atoms 59
NP-Likeness -0.48

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