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Compound Detail

CHEMBL172439

SLAZINIC ACID
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Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)C(O)OC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172439
Name SLAZINIC ACID
Phase Preclinical
Structure Type MOL
InChI Key QQTKVXCQLZIJPP-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
1.20
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H12O10
MW 388.28
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.20

Activity Summary

IC50 6 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 5.21 4.9075 6200.0 4
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1
CHEMBL2097170
 IC50 4.9 4.865 12500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 integrase IC50 = 6200.0 nM 5.21 Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... 9083483
Human immunodeficiency virus type 1 integrase IC50 = 12600.0 nM 4.9 Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... 9083483
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 IC50 = 12500.0 nM 4.9 PUBCHEM_BIOASSAY: uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance ... -
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 IC50 = 14800.0 nM 4.83 PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... -
Human immunodeficiency virus type 1 integrase IC50 = 16000.0 nM 4.8 Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... 9083483
Human immunodeficiency virus type 1 integrase IC50 = 19000.0 nM 4.72 Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... 9083483

Literature References

PubMed DOI Target Context # Activities
9083483 10.1021/jm960759e Human immunodeficiency virus type 1 integrase 6
21351753 10.1021/jf1049613 Globisporangium debaryanum 4
21351753 10.1021/jf1049613 Pythium aphanidermatum 4
21351753 10.1021/jf1049613 Fusarium udum 4
21351753 10.1021/jf1049613 Macrophomina phaseolina 4
21351753 10.1021/jf1049613 Rhizoctonia solani 4
21351753 10.1021/jf1049613 Athelia rolfsii 4
- 10.1016/0305-1978(94)90001-9 Spodoptera littoralis 4

Data from ChEMBL 36 via Core Engine