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Compound Detail

CHEMBL350241

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CCCCc1nn2cc(CC)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL350241
Phase Preclinical
Structure Type MOL
InChI Key UXMZMKHEVDCAPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.33
ALogP
7
HBA
1
HBD
89.6
PSA (Ų)
0.40
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 C24H26N8
MW 426.53
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8496939 10.1021/jm00057a009 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine