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Compound Detail

CHEMBL173530

STICTIC ACID
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COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173530
Name STICTIC ACID
Phase Preclinical
Structure Type MOL
InChI Key SKCUFZLDTAYNBZ-UHFFFAOYSA-N
4
Targets
17
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
2.32
ALogP
9
HBA
2
HBD
128.6
PSA (Ų)
0.45
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 C19H14O9
MW 386.31
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.04

Activity Summary

IC50 17 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.7 5.3767 200.0 9
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 5.72 5.426 1900.0 5
14 kDa phosphohistidine phosphatase
CHEMBL5169200
 IC50 4.66 4.66 22000.0 1
Aminopeptidase N
CHEMBL4117
 IC50 4.56 4.56 27280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of bovine lung sGC assessed as reduction in GMP level incubated for 2... 33290062
Unchecked IC50 = 300.0 nM 6.52 Inhibition of bovine lung sGC assessed as reduction in GMP level incubated for 2... 33290062
Human immunodeficiency virus type 1 integrase IC50 = 1900.0 nM 5.72 Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... 9083483
Unchecked IC50 = 2500.0 nM 5.6 Inhibition of bovine lung sGC assessed as reduction in GMP level incubated for 2... 33290062
Human immunodeficiency virus type 1 integrase IC50 = 2600.0 nM 5.58 Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... 9083483
Unchecked IC50 = 2600.0 nM 5.58 Inhibition of bovine lung sGC assessed as reduction in GMP level incubated for 2... 33290062
Human immunodeficiency virus type 1 integrase IC50 = 2900.0 nM 5.54 Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... 9083483
Unchecked IC50 = 3000.0 nM 5.52 Inhibition of Salmonella typhimurium LsrK expressed in Escherichia coli MET1158 ... 33152241
Human immunodeficiency virus type 1 integrase IC50 = 4400.0 nM 5.36 Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... 9083483
Human immunodeficiency virus type 1 integrase IC50 = 11700.0 nM 4.93 Inhibitory concentration of compound against disintegration (reversal of strand ... 9083483
Unchecked IC50 = 13000.0 nM 4.89 Inhibition of Yersinia pestis FabZ 33290062
Unchecked IC50 = 13000.0 nM 4.89 Inhibition of Francisella tularensis FabZ 33290062
14 kDa phosphohistidine phosphatase IC50 = 22000.0 nM 4.66 Inhibition of PHPT1 (unknown origin) using DiFMUP as fluorogenic substrate incub... 35859860
Aminopeptidase N IC50 = 27280.0 nM 4.56 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -
Unchecked IC50 = 44000.0 nM 4.36 Inhibition of human sGC expressed in HUVEC cells assessed as reduction in GMP le... 33290062
Unchecked IC50 = 47000.0 nM 4.33 Inhibition of human sGC expressed in HUVEC cells assessed as reduction in GMP le... 33290062

Literature References

PubMed DOI Target Context # Activities
33290062 10.1021/acs.jnatprod.0c00854 Unchecked 13
9083483 10.1021/jm960759e Human immunodeficiency virus type 1 integrase 7
- 10.1016/0305-1978(94)90001-9 Spodoptera littoralis 5
24725159 10.1021/np4008574 HL-60 4
24725159 10.1021/np4008574 No relevant target 4
24725159 10.1021/np4008574 HeLa 2
24725159 10.1021/np4008574 Vero 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
29969260 10.1021/acs.jnatprod.8b00209 Rho guanine nucleotide exchange factor 1 2
35859860 10.1021/acsmedchemlett.2c00053 14 kDa phosphohistidine phosphatase 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
- 10.6019/CHEMBL4296183 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296183 Escherichia coli 1
- 10.6019/CHEMBL4296183 Staphylococcus aureus 1
- 10.6019/CHEMBL4296183 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296183 Candida albicans 1
- 10.6019/CHEMBL4296183 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296183 Klebsiella pneumoniae 1
29969260 10.1021/acs.jnatprod.8b00209 Neuroepithelial cell-transforming gene 1 protein 1

Data from ChEMBL 36 via Core Engine