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

General Information of Drug (ID: DMU5J8Y)

• Drug Name: 2,5-dichloro-N-p-tolylthiophene-3-sulfonamide Drug Info
• Synonyms: CHEMBL1171972; 2,5-dichloro-N-p-tolylthiophene-3-sulfonamide

Indication

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

• Cross-matching ID:
  PubChem CID: 49798484
  TTD Drug ID: DMU5J8Y

Molecule-Related Drug Atlas

Drug(s) Targeting Plasmodium CDK Pfmrk (Malaria Pfmrk)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[2]
APIGENIN	DMI3491	Discovery agent	N.A.	Investigative	[2]
WR-289010	DMS2QUL	Discovery agent	N.A.	Investigative	[3]
WR-080539	DMUCGK8	Discovery agent	N.A.	Investigative	[3]
5-chloro-4-nitrothiophene-2-sulfonamide	DMRS82Q	Discovery agent	N.A.	Investigative	[1]
Oxindole derivative	DM1AU8V	Malaria	1F40-1F45	Investigative	[4]
WR-203581	DM9M1UO	Discovery agent	N.A.	Investigative	[3]
WR-289009	DM5W9GR	Discovery agent	N.A.	Investigative	[3]
N-(2-aminoethyl)isoquinoline-5-sulfonamide	DMG2MSX	Discovery agent	N.A.	Investigative	[5]
2-chloro-N-(o-tolylcarbamoyl)benzamide	DMLDQ6I	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Cyclin-dependent kinase 7 (CDK7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[6]
Samuraciclib	DM54FQA	Breast cancer	2C60-2C65	Phase 1/2	[7]
SNS-032	DMEITAS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[8]
BTX-A51	DMC8XHQ	Advanced solid tumour	2A00-2F9Z	Phase 1	[9]
SY-1365	DMK48PM	Solid tumour/cancer	2A00-2F9Z	Phase 1	[10]
LY3405105	DMB51K2	Solid tumour/cancer	2A00-2F9Z	Phase 1	[11]
SY-5609	DMNW3LH	Solid tumour/cancer	2A00-2F9Z	Phase 1	[12]
Oxazolyl methylthiothiazole derivative 1	DMZM6FW	N. A.	N. A.	Patented	[13]
Roscovitine derivative 1	DMD1G3Z	N. A.	N. A.	Patented	[13]
Tricyclic benzimidazole derivative 1	DM5SD9E	N. A.	N. A.	Patented	[13]

Drug(s) Targeting Cyclin A2 (CCNA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PD-0183812	DMWYP86	Retinoblastoma	2D02.2	Terminated	[14]
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol	DMSKJ1X	Discovery agent	N.A.	Investigative	[15]
aloisine A	DM5U1LN	Discovery agent	N.A.	Investigative	[16]
3-((3,5-diamino-1H-pyrazol-4-yl)diazenyl)phenol	DMJZK40	Discovery agent	N.A.	Investigative	[15]
MERIOLIN 8	DM0E95B	Discovery agent	N.A.	Investigative	[17]
Purvalanol A	DMNQ7TM	Discovery agent	N.A.	Investigative	[18]
MERIOLIN 1	DMJT93H	Discovery agent	N.A.	Investigative	[17]
MERIOLIN 4	DMIJMZQ	Discovery agent	N.A.	Investigative	[17]
MERIOLIN 6	DMW5AXC	Discovery agent	N.A.	Investigative	[17]
MERIOLIN 5	DMGVLR0	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin A2 (CCNA2)	TTAMQ62	CCNA2_HUMAN	Inhibitor	[1]
Cyclin-dependent kinase 7 (CDK7)	TTQYF7G	CDK7_HUMAN	Inhibitor	[1]
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[1]

References

• [1] Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases, Bioorg. Med. Chem. Lett. 20(13):3863-3867 (2010).
• [2] A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different class... J Med Chem. 2004 Oct 21;47(22):5418-26.
• [3] Selective inhibition of Pfmrk, a Plasmodium falciparum CDK, by antimalarial 1,3-diaryl-2-propenones. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1982-5.
• [4] Novel molecular targets for antimalarial chemotherapy. Int J Antimicrob Agents. 2007 Jul;30(1):4-10.
• [5] Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk. Bioorg Med Chem Lett. 2007 Sep 1;17(17):4961-6.
• [6] Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.
• [7] The CDK7 inhibitor CT7001 (Samuraciclib) targets proliferation pathways to inhibit advanced prostate cancer. Br J Cancer. 2023 Jun;128(12):2326-2337.
• [8] Mechanism of action of SNS-032, a novel cyclin-dependent kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2009 May 7;113(19):4637-45.
• [9] Clinical pipeline report, company report or official report of BioTheryX.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] CDK7 inhibitors as anticancer drugs. Cancer Metastasis Rev. 2020 Sep;39(3):805-823.
• [12] Clinical pipeline report, company report or official report of Syros Pharmaceuticals.
• [13] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
• [14] Pyrido[2,3-d]pyrimidin-7-one inhibitors of cyclin-dependent kinases. J Med Chem. 2000 Nov 30;43(24):4606-16.
• [15] 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006 Nov 2;49(22):6500-9.
• [16] Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects. J Med Chem. 2003 Jan 16;46(2):222-36.
• [17] Meriolins (3-(pyrimidin-4-yl)-7-azaindoles): synthesis, kinase inhibitory activity, cellular effects, and structure of a CDK2/cyclin A/meriolin com... J Med Chem. 2008 Feb 28;51(4):737-51.
• [18] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.