General Information of the Compound
Compound ID
CP0357652
Compound Name
COL-144
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Synonyms
COL-144
LY-573144
Lasmiditan
Migraine therapy, CoLucid
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Structure
Formula
C19H18F3N3O2
Molecular Weight
377.366
Canonical SMILES
CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2c(F)cc(F)cc2F)n1
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InChI
InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)
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InChIKey
XEDHVZKDSYZQBF-UHFFFAOYSA-N
CAS
439239-90-4
Physicochemical Property
logP
3.2757
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
62.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 11610526
SID: 16713395
ChEMBL ID
CHEMBL3039520
DrugBank ID
DB11732
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: PT02458, 5-hydroxytryptamine receptor 1F
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 87.84 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.21 nM
Clinical Information about the Compound
Drug 1 ( Lasmiditan )
Drug Name Lasmiditan
Company Colucid pharmaceuticals
Indication
Migraine
Approved
Target(s)
5-HT 1F receptor (HTR1F)
Agonist