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Compound Detail

CHEMBL48511

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CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncnc2cccc(OC)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48511
Phase Preclinical
Structure Type MOL
InChI Key NDEOQCCJODDXSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
4.90
ALogP
7
HBA
1
HBD
92.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N7O
MW 451.53
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81142-2 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine