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Compound Detail

CHEMBL313448

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

Basic Information

ChEMBL ID CHEMBL313448
Phase Preclinical
Structure Type MOL
InChI Key JEHWIMWMYJWSFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

717.9
MW (Da)
8.32
ALogP
9
HBA
1
HBD
103.7
PSA (Ų)
0.10
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 C45H47N7O2
MW 717.92
Aromatic Rings 7
Heavy Atoms 54
NP-Likeness -0.49

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