DS-1971

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Status
Molecule Category Free-form

Structure

InChI Key OJKONCJPCULNOW-DYVFJYSZSA-N
Smiles Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
InChI
InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 70-86.8
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 56.6-59.5
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 2.4-23.5
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 21.7-475 - - -23.91-95.43
Unclassified protein
- 26.5-59.4 - - -2.51-81.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 21.7-475 - - -23.91-95.43
Mus musculus
33.6 26.5-59.4 - - -2.51-81.9
CONTENTS