Details of the Drug

General Information of Drug (ID: DMNOZAI)

Drug Name
ALX-0646
Synonyms
ALC-2527XX; ALC-900XX; ALC-901XX; ALC-902XX; ALC-905XX; ALC-907XX; ALC-913; ALC-918; ALC-918XX; ALC-947XX; ALC-948XX; ALC-962XX; ALC-963XX; ALC-973XX; ALC-974XX; ALX-2324; ALX-2325; ALX-2326; ALX-2354XX; ALX-2355XX; ALX-2356XX; ALX-2357XX; ALX-2436XX; ALX-2437XX; ALX-2458XX; ALX-2459XX; ALX-2476XX; ALX-2477XX; ALX-2503XX; ALX-2504XX; ALX-2581; ALX-2582; ALX-2592; ALX-646CL; ALX-912
Indication
Disease Entry ICD 11 Status REF
Migraine 8A80 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 283.4
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H25N3
IUPAC Name
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]ethanamine
Canonical SMILES
CN1CCC(=CC1)C2=CC3=C(C=C2)NC=C3CCN(C)C
InChI
InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
InChIKey
RQTZMTMTBWAQAI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9860595
ChEBI ID
CHEMBL115415
CAS Number
208464-67-9
TTD ID
D08XWZ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008400)
2 Sustained pain relief with dihydroergotamine in migraine is potentially due to persistent binding to 5-HT1B and 5-HT1D receptors. . The Journal of Headache and Pain 201314(Suppl 1):P75.