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Compound Detail

CHEMBL1615281

SLC-0111
Phase I
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Phase I
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1615281
Name SLC-0111
Phase Phase I
Structure Type MOL
InChI Key YJQZNWPYLCNRLP-UHFFFAOYSA-N

Known Names

4-{[(4'-fluorophenyl)carbamoyl]amino}benzenesulfonamide NSC-213841 Slc-0111 SLC0111 U-104 U104
11
Targets
104
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

309.3
MW (Da)
2.12
ALogP
3
HBA
3
HBD
101.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C13H12FN3O3S
MW 309.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.82

Indications

Neoplasms

Activity Summary

Ki 101 meas. best 9.0
IC50 3 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 9
CHEMBL3594
 Ki 9.0 7.4135 1.0 26
Carbonic anhydrase 12
CHEMBL3242
 Ki 8.35 8.35 4.5 19
Beta-carbonic anhydrase 1
CHEMBL5631
 Ki 8.19 8.19 6.4 1
Unchecked
CHEMBL612545
 Ki 7.38 7.32 42.1 2
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)
CHEMBL5767
 Ki 7.28 7.28 53.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 7.02 6.1867 96.0 24
Carbonic anhydrase 4
CHEMBL3729
 Ki 6.54 6.54 286.0 3
Carbonic anhydrase 1
CHEMBL261
 Ki 5.29 5.29 5080.0 21
Carbonic anhydrase 7
CHEMBL2326
 Ki 5.07 5.07 8550.0 4
MDA-MB-231
CHEMBL400
 IC50 4.74 4.74 18220.0 1
U-87 MG
CHEMBL614247
 IC50 4.24 4.24 58000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 9 Ki = 1.0 nM 9.0 Inhibition of human CAH9 catalytic domain expressed in Escherichia coli BL21 (DE... 33523653
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by s... 31718943
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human CA12 preincubated for 15 mins by phenol red dye-... 31394463
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prio... 26840366
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stoppe... 34871842
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped fl... 26233435
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydrat... 30445264
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prio... 30846402
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by stopp... 33721499
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human CA12 assessed as enzyme inhibitor complex formation preincub... 29962205
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stoppe... 34958217
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human carbonic anhydrase 12 assessed as inhibition constant incuba... 35551035
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human carbonic anhydrase 12 incubated for 1 hr prior t... 31794211
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human carbonic anhydrase 12 for 15 mins by stopped flow CO2 hydrat... 26810836
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human carbonic anhydrase 12 assessed as inhibition constant preinc... 37722299
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by pheno... 33773285
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins p... 28347633
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human CA12 measured after 15 mins by stopped flow carbon dioxide a... 34482273
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 m... 21361354
Carbonic anhydrase 12 Ki = 4.5 nM 8.35 Inhibition of human CA12 preincubated for 15 mins by stopped-flow carbon dioxide... 32435417

Literature References

PubMed DOI Target Context # Activities
30433782 10.1021/acs.jmedchem.8b01504 HT-29 6
30433782 10.1021/acs.jmedchem.8b01504 MDA-MB-231 6
30433782 10.1021/acs.jmedchem.8b01504 PC-3 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
28947945 10.1021/acsmedchemlett.7b00280 No relevant target 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
30445264 10.1016/j.ejmech.2018.10.068 Carbonic anhydrase 9 2
28947945 10.1021/acsmedchemlett.7b00280 HT-29 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
34232641 10.1021/acs.jmedchem.1c00840 Unchecked 2
29962205 10.1021/acs.jmedchem.8b00770 Unchecked 2
31794211 10.1021/acs.jmedchem.9b01669 Unchecked 2
30846402 10.1016/j.bmc.2019.03.001 Unchecked 2
26233435 10.1016/j.bmcl.2015.07.060 Carbonic anhydrase 9 1
26810836 10.1016/j.bmc.2016.01.019 Carbonic anhydrase 2 1
26810836 10.1016/j.bmc.2016.01.019 Carbonic anhydrase 1 1
26233435 10.1016/j.bmcl.2015.07.060 Carbonic anhydrase 12 1
37321108 10.1016/j.ejmech.2023.115538 Carbonic anhydrase 9 1
21361354 10.1021/jm101541x Carbonic anhydrase 2 1
21361354 10.1021/jm101541x Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine