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Compound Detail

CHEMBL41826

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CCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCCC2

Basic Information

ChEMBL ID CHEMBL41826
Phase Preclinical
Structure Type MOL
InChI Key XENXDQAWOIYJHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.25
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.50
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 C24H24N6O
MW 412.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

Kd 1 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
Kd 9.04 9.04 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor Kd = 0.912 nM 9.04 Displacement of angiotensin II from angiotensin II receptor of rabbit aorta -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80018-9 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine