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Compound Detail

CHEMBL41828

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CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2

Basic Information

ChEMBL ID CHEMBL41828
Phase Preclinical
Structure Type MOL
InChI Key FZMKOFDCRNAIEL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
5.39
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6
MW 426.57
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.11

Activity Summary

Kd 1 meas. best 7.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
Kd 7.69 7.69 20.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor Kd = 20.42 nM 7.69 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