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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.