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Compound Detail

CHEMBL313945

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CCCCn1nc2n(c1=O)C(c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)CCC2CCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313945
Phase Preclinical
Structure Type MOL
InChI Key MPYCVEWFGYJCIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

699.9
MW (Da)
9.27
ALogP
8
HBA
0
HBD
83.4
PSA (Ų)
0.12
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 C45H45N7O
MW 699.90
Aromatic Rings 7
Heavy Atoms 53
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80290-0 Type-1 angiotensin II receptor B 2

Data from ChEMBL 36 via Core Engine