Details of the Drug

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
CHEMBL31283
CAS Number
5205-82-3
TTD ID
D08LMS
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.