FROVATRIPTAN

Search structure


Synonyms:	Allergo filmtabletten Frova Frovatriptan Migard Mylatrip
Status:	Approved (2001)
Entry Type:	Small molecule
Molecule Category:	Parent
ATC:	N02CC07
UNII:	H82Q2D5WA7

Structure


InChI Key	XPSQPHWEGNHMSK-SECBINFHSA-N
Smile	CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
InChI	InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H17N3O
Molecular Weight	243.31
AlogP	1.34
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	70.91
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	18.0

Pharmacology

	Primary Target
5-HT_1B receptor
5-HT_1D receptor

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	10	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Pain	2	D010146	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Salt

Cross References

Resources	Reference
CAS NUMBER	158747-02-5
ChEBI	134991
ChEMBL	CHEMBL1279
DrugBank	DB00998
DrugCentral	1251
EPA CompTox	DTXSID0023080
FDA SRS	H82Q2D5WA7
Human Metabolome Database	HMDB0015133
Guide to Pharmacology	7191
PharmGKB	PA164754891
PubChem	77992
SureChEMBL	SCHEMBL34410
ZINC	ZINC000000018635

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