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Compound Detail

CHEMBL1783186

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CCCCNC(=O)C(C)CC(O)C(N)CC(CNC(=O)c1cccc(OCCCOC)c1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1783186
Phase Preclinical
Structure Type MOL
InChI Key MLNLAFLMEAXSGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.7
MW (Da)
3.12
ALogP
6
HBA
4
HBD
122.9
PSA (Ų)
0.23
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 C27H47N3O5
MW 493.69
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Renin
CHEMBL286
 IC50 9.05 9.05 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Renin IC50 = 0.9 nM 9.05 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