Details of the Drug

General Information of Drug (ID: DM3GD7V)

Drug Name

WAY-100289

Synonyms

Endo-2-(Cyclopropylmethoxy)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)benzamide maleate; Endo-1-[2-(Cyclopropylmethoxy)benzoyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea maleate

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	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)

357.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H27N3O3
IUPAC Name: 2-(cyclopropylmethoxy)-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]benzamide
Canonical SMILES: CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)NC(=O)C3=CC=CC=C3OCC4CC4
InChI: InChI=1S/C20H27N3O3/c1-23-15-8-9-16(23)11-14(10-15)21-20(25)22-19(24)17-4-2-3-5-18(17)26-12-13-6-7-13/h2-5,13-16H,6-12H2,1H3,(H2,21,22,24,25)/t14?,15-,16+
InChIKey: VFRIHPWRNNTKEX-MQVJKMGUSA-N

Cross-matching ID

PubChem CID: 6918186
CAS Number: 136013-69-9
TTD ID: D0S7VZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3 receptor (5HT3R)	TTNXLKE	NOUNIPROTAC	Modulator	[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 800001552)
2	The selective 5-HT3 receptor antagonist, WAY100289, enhances spatial memory in rats with ibotenate lesions of the forebrain cholinergic projection system. Psychopharmacology (Berl). 1995 Feb;117(3):318-32.