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Compound Detail

CHEMBL120600

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NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(Br)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120600
Phase Preclinical
Structure Type MOL
InChI Key UUKCZAOMOHMMFV-GDNBJRDFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.3
MW (Da)
4.44
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25BrNO4P
MW 430.28
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.38

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidase 1
CHEMBL1989
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidase 1 IC50 = 30.0 nM 7.52 Concentration required to inhibit renal dipeptidase (RDP) by 50% in crude lysate... 15177467

Literature References

PubMed DOI Target Context # Activities
15177467 10.1016/j.bmcl.2004.04.057 Dipeptidase 1 1

Data from ChEMBL 36 via Core Engine