DSM-265

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0Q42P4YI6B

Structure
InChI Key OIZSVTOIBNSVOS-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dihydroorotate dehydrogenase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2100-2300 - - -
Enzyme
- 10-33 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
1600-7000 1600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Falciparum 2 D016778 ClinicalTrials
Malaria, Vivax 2 D016780 ClinicalTrials
Malaria 1 D008288 ClinicalTrials

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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