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

CHEMBL495390

AZELAIC BIS HYDROXAMIC ACID
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
O=C(CCCCCCCC(=O)NO)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495390
Name AZELAIC BIS HYDROXAMIC ACID
Phase Preclinical
Structure Type MOL
InChI Key VBJZDMOTYJEHEP-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
0.73
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18N2O4
MW 218.25
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.08

Activity Summary

IC50 5 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.5 5.368 3200.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 3200.0 nM 5.5 Antimalarial activity against Plasmodium falciparum 18212103
Plasmodium falciparum IC50 = 3900.0 nM 5.41 Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... 18362073
Plasmodium falciparum IC50 = 3890.45 nM 5.41 Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... 18362073
Plasmodium falciparum IC50 = 5500.0 nM 5.26 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... 18362073
Plasmodium falciparum IC50 = 5495.41 nM 5.26 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... 18362073

Literature References

PubMed DOI Target Context # Activities
18362073 10.1016/j.bmc.2008.03.005 Plasmodium falciparum 4
18212103 10.1128/aac.00757-07 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine