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Compound Detail

CHEMBL69475

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CCCCc1nc2ccccc2n1Cc1cc(Br)c(O)c(Br)c1

Basic Information

ChEMBL ID CHEMBL69475
Phase Preclinical
Structure Type MOL
InChI Key DWLRJPFONCNEGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.2
MW (Da)
5.66
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18Br2N2O
MW 438.16
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 2500.0 nM 5.6 Inhibition of [125I][Ile5]-AII binding to bovine adrenal cortex membrane Angiote... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81149-5 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine