DSM-265

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Synonyms
Status
Molecule Category Free-form
UNII 0Q42P4YI6B

Structure

InChI Key OIZSVTOIBNSVOS-UHFFFAOYSA-N
Smiles Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1
InChI
InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12F7N5S
Molecular Weight 415.34
AlogP 5.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.11
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Dihydroorotate dehydrogenase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 10-33 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Plasmodium falciparum
4.3-918 8.9-33 - - -
Plasmodium falciparum D10
86 - - - -
Plasmodium falciparum Dd2
- 4.3-104 - - -
Plasmodium falciparum HB3
27 - - - -
Plasmodium falciparum K1
57 - - - -
Plasmodium vivax
20-529 27-73 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1956285
DrugBank DB12397
FDA SRS 0Q42P4YI6B
Guide to Pharmacology 9644
PDB D65
PubChem 51347395
SureChEMBL SCHEMBL14053411
ZINC ZINC000073311109
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