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]
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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
CAS Number: 208464-67-9
TTD ID: D08XWZ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.