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Compound Detail

CHEMBL265697

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CCn1c(=O)c2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL265697
Phase Preclinical
Structure Type MOL
InChI Key PZSFAMFZXZAOHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.42
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O
MW 411.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor A
CHEMBL329
IC50 5.73 5.73 1870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18318468 10.1021/jm7011563 Type-1 angiotensin II receptor A 1

Data from ChEMBL 36 via Core Engine