Details of the Drug

General Information of Drug (ID: DM6TVAX)

Drug Name

Disulergine

Synonyms

Disulergine; UNII-1Q3CYC1YR6; 1Q3CYC1YR6; CHEMBL95067; 59032-40-5; Disulergina; Disulerginum; Sulergin; disulergine[inn]; Disulergine [INN]; Disulerginum [INN-Latin]; Disulergina [INN-Spanish]; Compound 71; SULERGINE; CM 29717; CH 29-717; CH-29717; AC1Q6V4Q; AC1L2AG4; SCHEMBL1841646; BDBM50130260; CH 29717; N,N-Dimethyl-N'-(6-methylergolin-8alpha-yl)sulfamide; N,N-Dimethyl-N'-((8 alpha)-6-methylergolin-8-yl)sulfamide

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)

348.5

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H24N4O2S
IUPAC Name: (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Canonical SMILES: CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)NS(=O)(=O)N(C)C
InChI: InChI=1S/C17H24N4O2S/c1-20(2)24(22,23)19-12-8-14-13-5-4-6-15-17(13)11(9-18-15)7-16(14)21(3)10-12/h4-6,9,12,14,16,18-19H,7-8,10H2,1-3H3/t12-,14+,16+/m0/s1
InChIKey: VUEGYUOUAAVYAS-JGGQBBKZSA-N