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Compound Detail

CHEMBL128922

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CCCCc1nc2ccc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL128922
Phase Preclinical
Structure Type MOL
InChI Key VDNYWPGFDZMZIL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
5.79
ALogP
6
HBA
1
HBD
92.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31N7O
MW 505.63
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8258826 10.1021/jm00077a007 Type-1 angiotensin II receptor B 1
8258826 10.1021/jm00077a007 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine