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Compound Detail

CHEMBL3939284

ACHN-975
Phase I
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Phase I
CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2CO)cc1)C(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3939284
Name ACHN-975
Phase Phase I
Structure Type MOL
InChI Key GOCUUDXEOKIQRU-IXDOHACOSA-N

Known Names

Achn-975
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
Known Names

Molecular Properties

369.4
MW (Da)
0.01
ALogP
5
HBA
5
HBD
124.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C20H23N3O4
MW 369.42
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.33

Activity Summary

IC50 3 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UDP-3-O-acyl-N-acetylglucosamine deacetylase
CHEMBL3855
 IC50 10.7 10.7 0.0 1
Pseudomonas aeruginosa
CHEMBL348
 IC50 10.3 10.3 0.1 1
UDP-3-O-acyl-N-acetylglucosamine deacetylase
CHEMBL2163170
 IC50 9.17 9.17 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
UDP-3-O-acyl-N-acetylglucosamine deacetylase IC50 = 0.02 nM 10.7 Inhibition of wild-type Pseudomonas aeruginosa LpxC preincubated for 20 mins fol... 27178386
Pseudomonas aeruginosa IC50 = 0.05 nM 10.3 Antibacterial activity against Pseudomonas aeruginosa PA01 assessed as bacterial... 33538159
UDP-3-O-acyl-N-acetylglucosamine deacetylase IC50 = 0.68 nM 9.17 Inhibition of recombinant Pseudomonas aeruginosa LpxC expressed in Escherichia c... 37023679

Literature References

PubMed DOI Target Context # Activities
33538159 10.1021/acs.jmedchem.0c02185 Pseudomonas aeruginosa 4
33538159 10.1021/acs.jmedchem.0c02185 Escherichia coli 2
27178386 10.1016/j.bmc.2016.05.004 Pseudomonas aeruginosa 1
27178386 10.1016/j.bmc.2016.05.004 UDP-3-O-acyl-N-acetylglucosamine deacetylase 1
31306011 10.1021/acs.jmedchem.9b00625 Escherichia coli 1
36037447 10.1021/acs.jmedchem.2c00974 Escherichia coli 1
36037447 10.1021/acs.jmedchem.2c00974 Pseudomonas aeruginosa 1
37023679 10.1016/j.ejmech.2023.115326 UDP-3-O-acyl-N-acetylglucosamine deacetylase 1

Data from ChEMBL 36 via Core Engine