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Compound Detail

CHEMBL1668626

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Cl.NC1CCc2ccccc2CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668626
Phase Preclinical
Structure Type MOL
InChI Key YGGOSFPNPAAKEW-UHFFFAOYSA-N
Parent Compound CHEMBL1739276
Active Moiety CHEMBL1739276
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
1.07
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14ClNO
MW 211.69
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.50

Activity Summary

Ki 7 meas. best 6.0
IC50 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
 Ki 6.0 5.85 1000.0 2
Aminopeptidase N
CHEMBL2590
 Ki 6.0 6.0 1000.0 3
Aminopeptidase N
CHEMBL2189140
 Ki 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 1000.0 nM 6.0 Inhibition of human aminopeptidase N by Dixon plot analysis 21292493
Aminopeptidase N Ki = 1000.0 nM 6.0 Inhibition of porcine kidney APN using L-leucine-p-nitroanilide as substrate aft... 21843945
Aminopeptidase N Ki = 1000.0 nM 6.0 Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every... 23428964
Aminopeptidase N Ki = 1000.0 nM 6.0 Inhibition of porcine kidney APN using L-leucine para-notroanilide as substrate ... 24055078
Aminopeptidase N Ki = 2000.0 nM 5.7 Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured eve... 23428964
Aminopeptidase N Ki = 2000.0 nM 5.7 Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured eve... 23428964

Literature References

PubMed DOI Target Context # Activities
23428964 10.1016/j.bmc.2012.12.038 Aminopeptidase N 3
23428964 10.1016/j.bmc.2012.12.038 HUVEC 3
21292493 10.1016/j.bmc.2011.01.008 Aminopeptidase N 2
24055078 10.1016/j.bmc.2013.08.044 Aminopeptidase N 1
24055078 10.1016/j.bmc.2013.08.044 Bacterial leucyl aminopeptidase 1
23428964 10.1016/j.bmc.2012.12.038 72 kDa type IV collagenase 1
23428964 10.1016/j.bmc.2012.12.038 Matrix metalloproteinase-9 1
23428964 10.1016/j.bmc.2012.12.038 Stromelysin-3 1
23428964 10.1016/j.bmc.2012.12.038 Macrophage metalloelastase 1
23428964 10.1016/j.bmc.2012.12.038 Collagenase 3 1
21843945 10.1016/j.bmc.2011.06.089 Bacterial leucyl aminopeptidase 1
21843945 10.1016/j.bmc.2011.06.089 Cytosol aminopeptidase 1
21843945 10.1016/j.bmc.2011.06.089 Aminopeptidase N 1
21292493 10.1016/j.bmc.2011.01.008 No relevant target 1
21292493 10.1016/j.bmc.2011.01.008 Unchecked 1
21292493 10.1016/j.bmc.2011.01.008 Leukotriene A-4 hydrolase 1
21292493 10.1016/j.bmc.2011.01.008 Cytosol aminopeptidase 1

Data from ChEMBL 36 via Core Engine