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

CHEMBL175266

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
Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175266
Phase Preclinical
Structure Type MOL
InChI Key TZVNNUHRZXQCHM-UHFFFAOYSA-N
9
Targets
14
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
2.32
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H10O5
MW 258.23
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.17

Activity Summary

IC50 12 meas. best 6.67
EC50 2 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
 EC50 7.09 7.09 82.0 1
Unchecked
CHEMBL612545
 IC50 6.67 6.24 211.9 2
Ras and Rab interactor 1/Tyrosine-protein kinase ABL1
CHEMBL3885630
 IC50 6.08 6.08 834.7 1
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 6.05 5.9475 900.0 4
Human immunodeficiency virus type 2 integrase
CHEMBL3463
 IC50 5.82 5.73 1500.0 2
RNA-binding protein pos-1
CHEMBL1293304
 EC50 5.72 5.72 1897.0 1
Mannose-6-phosphate isomerase
CHEMBL2758
 IC50 5.45 5.45 3550.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
 IC50 5.27 5.27 5376.8 1
dTDP-4-dehydrorhamnose reductase
CHEMBL1938225
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein mex-5 EC50 = 82.0 nM 7.09 PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... -
Unchecked IC50 = 211.9 nM 6.67 PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... -
Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 IC50 = 834.68 nM 6.08 PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... -
Human immunodeficiency virus type 1 integrase IC50 = 900.0 nM 6.05 Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... 9083483
Human immunodeficiency virus type 1 integrase IC50 = 1100.0 nM 5.96 Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... 9083483
Human immunodeficiency virus type 1 integrase IC50 = 1100.0 nM 5.96 Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... 9083483
Human immunodeficiency virus type 1 integrase IC50 = 1500.0 nM 5.82 Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... 9083483
Human immunodeficiency virus type 2 integrase IC50 = 1500.0 nM 5.82 Inhibitory concentration of compound against strand transfer of of HIV-2 integra... 9083483
Unchecked IC50 = 1536.0 nM 5.81 PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... -
RNA-binding protein pos-1 EC50 = 1897.0 nM 5.72 PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... -
Human immunodeficiency virus type 2 integrase IC50 = 2300.0 nM 5.64 Inhibitory concentration of compound against 3'-processing of HIV-2 integrase 9083483
Mannose-6-phosphate isomerase IC50 = 3550.0 nM 5.45 PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... -
Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 = 5376.77 nM 5.27 PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... -
dTDP-4-dehydrorhamnose reductase IC50 = 15000.0 nM 4.82 Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-bet... 22014548

Literature References

PubMed DOI Target Context # Activities
9083483 10.1021/jm960759e Human immunodeficiency virus type 1 integrase 6
9083483 10.1021/jm960759e Human immunodeficiency virus type 2 integrase 2
24035092 10.1016/j.bmcl.2013.08.079 Receptor-type tyrosine-protein phosphatase beta 2
21459001 10.1016/j.bmc.2011.03.012 Unchecked 1
22014548 10.1016/j.bmcl.2011.09.094 dTDP-4-dehydrorhamnose reductase 1
22014548 10.1016/j.bmcl.2011.09.094 Mycobacterium tuberculosis 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
34995690 10.1016/j.bmcl.2021.128524 A-431 1

Data from ChEMBL 36 via Core Engine