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Compound Detail

CHEMBL1432

2,3-DIHYDROXYBENZOIC ACID
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O=C(O)c1cccc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1432
Name 2,3-DIHYDROXYBENZOIC ACID
Phase Preclinical
Structure Type MOL
InChI Key GLDQAMYCGOIJDV-UHFFFAOYSA-N

Known Names

2,3-Dihydroxybenzoicacid
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

154.1
MW (Da)
0.80
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H6O4
MW 154.12
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.55

Activity Summary

IC50 2 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.2 5.195 6309.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6309.57 nM 5.2 Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... 30351002
Unchecked IC50 = 6500.0 nM 5.19 Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... 30351002

Literature References

PubMed DOI Target Context # Activities
30351002 10.1021/acs.jmedchem.8b01363 Unchecked 4
3127544 10.1021/np50054a008 NON-PROTEIN TARGET 4
28341401 10.1016/j.bmc.2017.03.024 HEK293 2
17302397 10.1021/jm060536g HL-60 2
21189019 10.1021/jm101266s Neutrophil collagenase 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
21189019 10.1021/jm101266s Tyrosinase 1
29475587 10.1016/j.bmcl.2018.02.022 HL-60 1
21189019 10.1021/jm101266s Nitric oxide synthase, inducible 1
21189019 10.1021/jm101266s Polyunsaturated fatty acid 5-lipoxygenase 1
21189019 10.1021/jm101266s Interstitial collagenase 1
21189019 10.1021/jm101266s Lethal factor 1
21189019 10.1021/jm101266s Matrix metalloproteinase-9 1
17302397 10.1021/jm060536g E-selectin 1
21189019 10.1021/jm101266s 72 kDa type IV collagenase 1
20598557 10.1016/j.bmc.2010.06.021 Albumin 1
20189814 10.1016/j.bmc.2010.02.004 PC-12 1
19520580 10.1016/j.bmc.2009.05.042 Histone deacetylase 1
18314336 10.1016/j.bmc.2008.02.041 Unchecked 1
17302397 10.1021/jm060536g L-selectin 1

Data from ChEMBL 36 via Core Engine