Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL89998

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCn1nc(C(CCC)CCBr)n(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89998
Phase Preclinical
Structure Type MOL
InChI Key IPDKNWWOWDROHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

780.8
MW (Da)
9.72
ALogP
8
HBA
0
HBD
83.4
PSA (Ų)
0.07
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 C45H46BrN7O
MW 780.81
Aromatic Rings 7
Heavy Atoms 54
NP-Likeness -0.63

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