Details of the Drug

General Information of Drug (ID: DMBG534)

Drug Name
Org-25435
Synonyms Org 25435; CHEMBL325728
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 369.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H31NO6
IUPAC Name
(2,6-dimethoxy-4-methylphenyl) (2R)-2-[bis(2-methoxyethyl)amino]butanoate
Canonical SMILES
CC[C@H](C(=O)OC1=C(C=C(C=C1OC)C)OC)N(CCOC)CCOC
InChI
InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1
InChIKey
GKRFHHRXDUACIN-OAHLLOKOSA-N
Cross-matching ID
PubChem CID
9885653
ChEBI ID
CHEMBL13254
CAS Number
256456-73-2
UNII
VCW1NHW3OV
DrugBank ID
DB12312
TTD ID
D04ZWQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor gamma-3 (GABRG3) TTEX6LM GBRG3_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01062867) First Administration to Man Of Org 25435 a New Intravenous Anesthetic. U.S. National Institutes of Health.
2 First administration to man of Org 25435, an intravenous anaesthetic: A Phase 1 Clinical Trial. BMC Anesthesiol. 2010 Jun 29;10:10.