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Compound Detail

CHEMBL1783182

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CCCCNC(=O)C(C)CC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1783182
Phase Preclinical
Structure Type MOL
InChI Key HMXUWQWZWZLSAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.7
MW (Da)
3.95
ALogP
6
HBA
3
HBD
103.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H48N2O5
MW 480.69
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Renin
CHEMBL286
 IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Renin IC50 = 0.4 nM 9.4 Inhibition of human renin 21497958

Literature References

PubMed DOI Target Context # Activities
21497958 10.1016/j.ejmech.2011.03.035 Renin 1

Data from ChEMBL 36 via Core Engine