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Compound Detail

CHEMBL86764

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CCCCN1N=C(CCC)C(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O

Basic Information

ChEMBL ID CHEMBL86764
Phase Preclinical
Structure Type MOL
InChI Key WOAJGWCTSVFSPA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.49
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N6O
MW 416.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80290-0 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine