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Compound Detail

CHEMBL473535

FENTICLOR
🧪 Phase II
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🧪 Phase II
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O

Basic Information

ChEMBL ID CHEMBL473535
Name FENTICLOR
Phase Phase II
Structure Type MOL
InChI Key ANUSOIHIIPAHJV-UHFFFAOYSA-N

Known Names

2,2'-thiobis(4-chlorophenol) Fenticlor Fenticloro NSC-4112 NSC-55636 S 7 S-7
7
Targets
19
Activities
2
Assay Types
0
PK Parameters
10
Publications
7
Known Names

Molecular Properties

287.2
MW (Da)
4.56
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1970

Extended Properties

Molecular Formula C12H8Cl2O2S
MW 287.17
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.44

Activity Summary

IC50 18 meas. best 7.12
EC50 1 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.12 6.0727 75.0 11
Human alphaherpesvirus 2
CHEMBL370
IC50 5.62 5.62 2400.0 1
Vaccinia virus
CHEMBL613493
IC50 5.24 5.24 5700.0 1
Cysteine protease ATG4B
CHEMBL1741221
IC50 4.96 4.96 11000.0 1
Phospholipase A2
CHEMBL4426
IC50 4.82 4.82 15200.0 1
Vaccinia virus
CHEMBL613493
EC50 4.73 4.73 18700.0 1
Plasmodium falciparum
CHEMBL364
IC50 4.69 4.68 20500.0 2
Uracil-DNA glycosylase
CHEMBL1772931
IC50 4.42 4.42 38500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 74.99 nM 7.12 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 116.4 nM 6.93 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 147.76 nM 6.83 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 182.8 nM 6.74 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 301.41 nM 6.52 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 578.9 nM 6.24 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 1847.7 nM 5.73 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Human alphaherpesvirus 2 IC50 = 2400.0 nM 5.62 Antiviral activity against Herpes simplex virus 2 36961984
Unchecked IC50 = 3100.0 nM 5.51 Inhibition of Plasmodium falciparum KAS3 expressed in Escherichia coli assessed ... 19191586
Unchecked IC50 = 3526.4 nM 5.45 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Vaccinia virus IC50 = 5700.0 nM 5.24 Antiviral activity against Vaccinia virus infected in human HFF cells 36961984
Unchecked IC50 = 8692.8 nM 5.06 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... -
Cysteine protease ATG4B IC50 = 11000.0 nM 4.96 PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... -
Phospholipase A2 IC50 = 15200.0 nM 4.82 PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... -
Vaccinia virus EC50 = 18700.0 nM 4.73 Antiviral activity against Vaccinia virus infected in BSC-1 cells by plaque redu... 21438571
Plasmodium falciparum IC50 = 20500.0 nM 4.69 Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 by ... 19191586
Plasmodium falciparum IC50 = 21500.0 nM 4.67 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum W2 by ... 19191586
Unchecked IC50 = 21328.0 nM 4.67 PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co... -
Uracil-DNA glycosylase IC50 = 38500.0 nM 4.42 Inhibition of Vaccinia virus WR strain processivity factor D4 interaction with A... 21438571

Literature References

PubMed DOI Target Context # Activities
36256884 10.1021/acs.jmedchem.2c01437 Staphylococcus aureus 3
19191586 10.1021/jm8008103 Plasmodium falciparum 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
19191586 10.1021/jm8008103 Unchecked 1
21438571 10.1021/jm101554k Uracil-DNA glycosylase 1
21438571 10.1021/jm101554k Vaccinia virus 1
21438571 10.1021/jm101554k BSC-1 1
36256884 10.1021/acs.jmedchem.2c01437 Erythrocyte 1
36961984 10.1021/acs.jmedchem.3c00069 Vaccinia virus 1
36961984 10.1021/acs.jmedchem.3c00069 Human alphaherpesvirus 2 1

Data from ChEMBL 36 via Core Engine