Details of the Drug

General Information of Drug (ID: DM6NM8V)

Drug Name

APLYSAMINE

Synonyms

Aplysamine-1; APLYSAMINE; NSC625525; CHEMBL380697; 3-(2,6-Dibromo-4-(2-(dimethylamino)ethyl)phenoxy)-N,N-dimethyl-1-propanamine; AC1L7JVE; AC1Q25RU; BDBM50177729; NSC-625525; 3-[2,6-dibromo-4-(2-dimethylaminoethyl)phenoxy]-N,N-dimethyl-propan-1-amine; 3-(2,6-dibromo-4-(2-(dimethylamino)ethyl)phenoxy)-N,N-dimethylpropan-1-amine; N-(3-(2,6-Dibromo-4-(2-(dimethylamino)ethyl)phenoxy)propyl)-N,N-dimethylamine; 3-[2,6-dibromo-4-(2-dimethylaminoethyl)phenoxy]-N,N-dimethylpropan-1-amine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

408.17

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H24Br2N2O
IUPAC Name: 3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
Canonical SMILES: CN(C)CCCOC1=C(C=C(C=C1Br)CCN(C)C)Br
InChI: InChI=1S/C15H24Br2N2O/c1-18(2)7-5-9-20-15-13(16)10-12(11-14(15)17)6-8-19(3)4/h10-11H,5-9H2,1-4H3
InChIKey: LWENJEAGCYZOBC-UHFFFAOYSA-N