General Information of the Compound
Compound ID
CP0103476
Compound Name
(R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid amide
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Synonyms
(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
(R)-5,6,7,8-Tetrahydro-6-(methylamino)carbazole-3-carboxamide
Allegro
Allergo filmtabletten
Allergo filmtabletten(TN)
Auradol
Frova
Frova (TN)
Frovatriptan
Frovatriptan (INN)
Frovelan
Migard
Miguard
Rilamig
SB 209509
SB-209509
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Structure
Formula
C14H17N3O
Molecular Weight
243.31
Canonical SMILES
CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
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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
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InChIKey
XPSQPHWEGNHMSK-SECBINFHSA-N
CAS
158747-02-5
Physicochemical Property
logP
1.3435
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
70.91
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 77992
SID: 15221001
ChEMBL ID
CHEMBL1279
DrugBank ID
DB00998
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06796, POU domain, class 2, transcription factor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Km = 61900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Frovatriptan )
Drug Name Frovatriptan
Company Vernalis
Indication
Migraine
Approved
Target(s)
5-HT 1B receptor (HTR1B)
Modulator
5-HT 1D receptor (HTR1D)
Modulator