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Compound Detail

CHEMBL283975

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CCCCc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL283975
Phase Preclinical
Structure Type MOL
InChI Key MYXADWBUIHCXIM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.89
ALogP
5
HBA
3
HBD
120.4
PSA (Ų)
0.41
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 C22H22N6O2
MW 402.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8246227 10.1021/jm00075a014 Rattus norvegicus 2
8246227 10.1021/jm00075a014 Type-1 angiotensin II receptor 1
- 10.1016/S0960-894X(00)80222-X Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine