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

General Information of Drug (ID: DM3S5UC)

• Drug Name: ML-3163 Drug Info
• Synonyms: ML 3163; CHEMBL111456; 4-[5-(4-Fluorophenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-3H-imidazol-4-yl]pyridine; SCHEMBL4106398; BDBM50114690; IN1229; 4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-1H-imidazol-4-yl]-pyridine; 4-(2-(4-(methylsulfinyl)benzylthio)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine

Indication

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

• Cross-matching ID:
  PubChem CID: 9845197
  TTD Drug ID: DM3S5UC

Molecule-Related Drug Atlas

Drug(s) Targeting Albendazole monooxygenase (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[3]
PMX-53	DMZUAJ4	Atopic dermatitis	EA80	Phase 2	[4]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[5]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[6]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol	DMH8WA2	Discovery agent	N.A.	Investigative	[7]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole	DMZVBPG	Discovery agent	N.A.	Investigative	[8]
ML-3375	DMXJY6W	Discovery agent	N.A.	Investigative	[2]
ML-3403	DMTQWI8	Discovery agent	N.A.	Investigative	[2]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[9]
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol	DMUGAT8	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Stress-activated protein kinase 2b (p38 beta)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VX-745	DMJAEG6	Alzheimer disease	8A20	Phase 2	[10]
SB 235699	DMNH8XU	Psoriasis vulgaris	EA90	Discontinued in Phase 1	[10]
RO-316233	DMAGLPW	Discovery agent	N.A.	Investigative	[11]
Bisindolylmaleimide-I	DMOQJZC	Discovery agent	N.A.	Investigative	[11]
4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole	DMN9YOB	Discovery agent	N.A.	Investigative	[12]
CI-1040	DMF3DZX	Discovery agent	N.A.	Investigative	[11]
KN-62	DMLZ89P	Discovery agent	N.A.	Investigative	[11]
Ro31-8220	DMDJLF0	Discovery agent	N.A.	Investigative	[11]
STAUROSPORINONE	DMU2H4K	Discovery agent	N.A.	Investigative	[11]
KT-5720	DM9J50F	Discovery agent	N.A.	Investigative	[11]

Drug(s) Targeting Debrisoquine 4-hydroxylase (CYP2D6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Glutethimide	DMGE0CW	Insomnia	7A00-7A0Z	Approved	[13]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[14]
ICI-199441	DMEWZ80	Discovery agent	N.A.	Investigative	[15]
4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide	DM0XDG6	Discovery agent	N.A.	Investigative	[16]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole	DMZVBPG	Discovery agent	N.A.	Investigative	[8]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[9]
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol	DMUGAT8	Discovery agent	N.A.	Investigative	[9]
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol	DMK4ICB	Discovery agent	N.A.	Investigative	[9]
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine	DM9UGO0	Discovery agent	N.A.	Investigative	[17]
DIHYDROCUBEBIN	DMZL7R6	Discovery agent	N.A.	Investigative	[18]

Drug(s) Targeting Stress-activated protein kinase 2a (p38 alpha)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ozagrel	DMIGKA1	Xerophthalmia	5B55.Y	Phase 4	[19]
Losmapimod	DMIL37Z	Acute coronary syndrome	BA41	Phase 3	[19]
VX-702	DMKJDR6	Coronary artery disease	BA80	Phase 2a	[20]
VX-745	DMJAEG6	Alzheimer disease	8A20	Phase 2	[10]
Dilmapimod	DMBYJ92	Acute lung injury	NB32.3	Phase 2	[19]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[21]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[21]
PMID25991433-Compound-L2	DM58UO9	N. A.	N. A.	Patented	[21]
PMID25991433-Compound-L3	DM3LWUR	N. A.	N. A.	Patented	[21]
PMID25991433-Compound-L1	DM2135Y	N. A.	N. A.	Patented	[21]

Drug(s) Targeting MAP kinase p38 (MAPK12)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
SM-101	DMFX9O6	Idiopathic thrombocytopenic purpura	3B64.10	Approved (orphan drug)	[22]
VX-745	DMJAEG6	Alzheimer disease	8A20	Phase 2	[23]
ARRY-797	DMJ48AB	Dilated cardiomyopathy	BC43.0	Phase 2	[24]
KC706	DMBX6C7	Cardiovascular disease	BA00-BE2Z	Discontinued in Phase 2	[25]
SB 235699	DMNH8XU	Psoriasis vulgaris	EA90	Discontinued in Phase 1	[26]
RO-316233	DMAGLPW	Discovery agent	N.A.	Investigative	[11]
Bisindolylmaleimide-I	DMOQJZC	Discovery agent	N.A.	Investigative	[11]
4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole	DMN9YOB	Discovery agent	N.A.	Investigative	[12]
CI-1040	DMF3DZX	Discovery agent	N.A.	Investigative	[11]
AMP-PNP	DMTOK1D	Discovery agent	N.A.	Investigative	[6]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Albendazole monooxygenase (CYP3A4)	TTXV4FI	CP3A4_HUMAN	Inhibitor	[2]
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[2]
MAP kinase p38 (MAPK12)	TTYT93M	MK12_HUMAN	Inhibitor	[1]
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]
Stress-activated protein kinase 2b (p38 beta)	TT73U6C	MK11_HUMAN	Inhibitor	[1]

References

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• [21] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
• [22] Agents in development for the treatment of diabetic nephropathy. Expert Opin Emerg Drugs. 2008 Sep;13(3):447-63.
• [23] P38 MAP kinase inhibitors as potential therapeutics for the treatment of joint degeneration and pain associated with osteoarthritis. J Inflamm (Lond). 2008 Dec 4;5:22.
• [24] Array BioPharmas ARRY-797 Meets Primary Endpoint in Clinical Proof of Concept Trial in Osteoarthritis Patients Whose Pain is Poorly Controlled by NSAIDs
• [25] KC706, an Oral p38 MAP Kinase Inhibitor, Increases HDL-C. Circulation. 2007;116:II_126.
• [26] Synthesis and structure-activity relationship of aminobenzophenones. A novel class of p38 MAP kinase inhibitors with high antiinflammatory activity. J Med Chem. 2003 Dec 18;46(26):5651-62.