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Compound Detail

CHEMBL311657

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CCCc1nc(C)n2cnnc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL311657
Phase Preclinical
Structure Type MOL
InChI Key NMTALGQYYCNFGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.82
ALogP
7
HBA
1
HBD
97.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N8
MW 410.49
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.01

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8057285 10.1021/jm00041a016 Rattus norvegicus 2
8057285 10.1021/jm00041a016 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine