General Information of Drug (ID: DMWY609)

Drug Name
CG201
Synonyms
Bevonium methyl sulfate; BEVONIUM METILSULFATE; Bevonium methylsulfate; 5205-82-3; Bevonium methylsulphate; Piribenzil methyl sulfate; Bevonii metilsulfas [INN-Latin]; EINECS 226-001-8; CG 201; Metilsulfato de bevonio [INN-Spanish]; Metilsulfate de bevonium [INN-French]; Bevonium metilsulfate [INN]; L-99; 2-(Hydroxymethyl)-1,1-dimethylpiperidinium methyl sulfate benzilate; Piperidinium, 2-(hydroxymethyl)-1,1-dimethyl-, methyl sulfate, benzilate; alpha-Phenylmandelic acid N,N-dimethylpiperidinium-2-methyl ester methylsulfa
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 465.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C23H31NO7S
IUPAC Name
(1,1-dimethylpiperidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate
Canonical SMILES
C[N+]1(CCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]
InChI
InChI=1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
AXKJGGRSAVLXTE-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
31799
ChEBI ID
CHEBI:31283
CAS Number
5205-82-3
TTD ID
D08LMS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leutinizing-hormone-releasing hormone (GNRH1) TT0ID4A GON1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Leutinizing-hormone-releasing hormone (GNRH1) DTT GNRH1 2.23E-01 0.04 0.06
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800015700)
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.