Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL197199

ARGIFIN
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197199
Name ARGIFIN
Phase Preclinical
Structure Type BOTH
InChI Key UHBHXSDKGLPPGO-HTDHLNIYSA-N
5
Targets
13
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

675.7
MW (Da)
-2.79
ALogP
9
HBA
10
HBD
288.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H41N9O10
MW 675.70
Aromatic Rings 1
Heavy Atoms 48
NP-Likeness 0.70

Activity Summary

IC50 10 meas. best 7.6
Ki 2 meas. best 7.77
Kd 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endochitinase B1
CHEMBL4638
 Ki 7.77 7.77 17.0 1
Chitinase A
CHEMBL5423
 IC50 7.6 7.6 25.0 1
Unchecked
CHEMBL612545
 IC50 7.6 6.395 25.0 2
Chitinase B
CHEMBL5348
 IC50 7.0 5.4917 100.0 6
Acidic mammalian chitinase
CHEMBL1293197
 IC50 5.35 5.35 4500.0 1
Chitinase B
CHEMBL5348
 Kd 4.48 4.48 33000.0 1
Unchecked
CHEMBL612545
 Ki 4.48 4.48 33000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endochitinase B1 Ki = 17.0 nM 7.77 Inhibitory activity against Chitinase B1 (AfChiB1) using fuorometric assay with ... 16153835
Chitinase A IC50 = 25.0 nM 7.6 Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ... 19297173
Unchecked IC50 = 25.0 nM 7.6 Inhibition of Serratia marcescens Chitinase A 38101038
Chitinase B IC50 = 100.0 nM 7.0 Binding affinity to Serratia marcescens chitinase B 18313305
Acidic mammalian chitinase IC50 = 4500.0 nM 5.35 Inhibition of human acidic mammalian chitinase 19666229
Chitinase B IC50 = 6400.0 nM 5.19 Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ... 19297173
Chitinase B IC50 = 6400.0 nM 5.19 Inhibition of Serratia marcescens chitinase B 19395258
Chitinase B IC50 = 6400.0 nM 5.19 Inhibition of Serratia marcescens chitinase B 20667742
Chitinase B IC50 = 6400.0 nM 5.19 Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitin... 26030312
Chitinase B IC50 = 6400.0 nM 5.19 Inhibition of Serratia marcescens chitinase ChiB 26030312
Unchecked IC50 = 6400.0 nM 5.19 Inhibition of Serratia marcescens Chitinase B 38101038
Chitinase B Kd = 33000.0 nM 4.48 Inhibition of Serratia marcescens chitinase B 20667742
Unchecked Ki = 33000.0 nM 4.48 Inhibition of Lucilia cuprina chitinase B 18313305

Literature References

PubMed DOI Target Context # Activities
16153835 10.1016/j.bmcl.2005.07.068 Endochitinase B1 2
20667742 10.1016/j.bmc.2010.06.093 Chitinase B 2
26030312 10.1021/acs.jmedchem.5b00175 Chitinase B 2
38101038 10.1016/j.ejmech.2023.116037 Unchecked 2
16153835 10.1016/j.bmcl.2005.07.068 ADMET 1
18313305 10.1016/j.bmc.2008.02.017 Chitinase B 1
18313305 10.1016/j.bmc.2008.02.017 Unchecked 1
19297173 10.1016/j.bmc.2009.02.047 Chitinase A 1
19297173 10.1016/j.bmc.2009.02.047 Chitinase B 1
19297173 10.1016/j.bmc.2009.02.047 Chitinase C1 1
19395258 10.1016/j.bmcl.2009.04.013 Chitinase B 1
19666229 10.1016/j.bmc.2009.07.045 Acidic mammalian chitinase 1

Data from ChEMBL 36 via Core Engine