Details of the Drug

General Information of Drug (ID: DMZBUE7)

Drug Name

CORONARIDINE

Synonyms

CORONARIDINE; Coronardine; CHEMBL364613; CHEBI:3887; (-)-Coronaridine; NSC127490; Ibogamine-18-carboxylic acid, methyl ester; Methyl ibogamine-18-carboxylate; 467-77-6; AC1L2JXS; NVVDQMVGALBDGE-KSWFMABOSA-N; BDBM50329102

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

338.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H26N2O2
IUPAC Name: methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Canonical SMILES: CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
InChI: InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14-,19-,21+/m0/s1
InChIKey: NVVDQMVGALBDGE-KSWFMABOSA-N