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Compound Detail

CHEMBL331466

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C[C@H](NP(=O)(O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331466
Phase Preclinical
Structure Type MOL
InChI Key GNGBFOBTYAQKJQ-JQWIXIFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
1.22
ALogP
4
HBA
3
HBD
116.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N2O6P
MW 342.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.18

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Renin
CHEMBL286
 Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Renin Ki = 1.0 nM 9.0 Antihypertensive activity against human renin 6267277

Literature References

PubMed DOI Target Context # Activities
6267277 10.1021/jm00136a001 Renin 1

Data from ChEMBL 36 via Core Engine