Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMQT15Z)

• Drug Name: (E)-8-(3-chlorostyryl)-caffeine Drug Info
• Synonyms: 8-[(E)-2-(3-Chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-(3-Chlorostyryl)caffeine; Csc cpd; 8-CSC; CSC; 148589-13-3; CHEMBL26138; CHEBI:53115; 8-(2-(3-Chlorophenyl)methyl)-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; 1H-Purine-2,6-dione, 8-(2-(3-chlorophenyl)methyl)-3,7-dihydro-1,3,7-trimethyl-; Lopac0_000393; 8-(3-chlorostyryl) caffine; MLS000860039; SCHEMBL537055; 8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione; AC1NS448; GTPL5609; cid_5353365; AOB5970; DTXSID60872447

Indication

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

• Cross-matching ID:
  PubChem CID: 5353365
  ChEBI ID: CHEBI:53115
  CAS Number: CAS 147700-11-6
  TTD Drug ID: DMQT15Z

Molecule-Related Drug Atlas

Drug(s) Targeting Adenosine A3 receptor (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IB-MECA	DM9G5XD	Psoriasis vulgaris	EA90	Phase 3	[6]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[8]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[9]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[10]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[11]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[12]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[13]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[9]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[9]

Drug(s) Targeting Monoamine oxidase type B (MAO-B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selegiline Hydrochloride	DM3VR1L	Parkinson disease	8A00.0	Approved	[14]
Phenelzine	DMHIDUE	Depression	6A70-6A7Z	Approved	[15]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[16]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[17]
Safinamide mesylate	DM0J2ZT	Parkinson disease	8A00.0	Approved	[18]
Rasagiline	DM3WKQ4	Parkinson disease	8A00.0	Approved	[19]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[20]
Pargyline	DMM0HR1	Hypertension	BA00-BA04	Approved	[21]
Indeloxazine	DMWO3N6	Dementia	6D80-6D86	Approved	[22]
Budipine	DMODHQI	Migraine	8A80	Approved	[23]

Drug(s) Targeting Adenosine A2b receptor (ADORA2B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Adenosine	DMM2NSK	Paroxysmal supraventricular tachycardia	BC81.Z	Approved	[24]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[24]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[25]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
YT-146	DM3YVKQ	Hypertension	BA00-BA04	Phase 2	[26]
AB928	DMDOXMN	Metastatic colorectal cancer	2B91	Phase 1/2	[27]
KF-17837	DMQ6DLZ	Parkinson disease	8A00.0	Phase 1	[28]
Xanthine	DMFBOQ7	Apnea	MD11.0	Phase 1	[29]
CVT-6883	DMY84TW	Asthma	CA23	Phase 1	[30]
PBF-1129	DMOPGXM	Non-small-cell lung cancer	2C25.Y	Phase 1	[27]

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[31]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[32]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[33]
SELODENOSON	DMQM3IX	Cardiac arrhythmias	BC9Z	Phase 2	[34]
Apaxifylline	DMQMV9F	Cognitive impairment	6D71	Phase 2	[35]
SLV320	DM867BJ	Heart failure	BD10-BD13	Phase 2	[36]
DTI-0009	DMV84OK	Atrial fibrillation	BC81.3	Phase 2	[34]
Capadenoson	DMYWO62	Atrial fibrillation	BC81.3	Phase 2	[37]
BAY 1067197	DM4JGNH	Heart failure	BD10-BD13	Phase 2	[38]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Antagonist	[2]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Antagonist	[3]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Antagonist	[4]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[5]

References

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