TECOVIRIMAT

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J05AX24
UNII: F925RR824R

Structure
InChI Key CSKDFZIMJXRJGH-KUAIZNHUSA-N
Smile O=C(NN1C(=O)[C@H]2C3C=CC([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10?,11?,12-,13+,14+,15-

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15F3N2O3
Molecular Weight 376.33
AlogP 2.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Envelope phospholipase OPG057 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 2.66 - - -
Enzyme Transferase
- - - - 19.42
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -23.57-3.03

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Smallpox 4 D012899 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1257073
DrugBank DB12020
DrugCentral 5291
FDA SRS F925RR824R
SureChEMBL SCHEMBL21670085
ZINC ZINC000035323125
CONTENTS