General Information of DFM (ID: F23212)
Name	Lindane 1% shampoo
Company	Morton Grove Pharmaceuticals
Active Pharmaceutical Ingredient (API)	Lindane		API Info click to show the detail info of this API
				Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0K9AR	DIG Info	Acetone	Solvent
	E0H0KW	DIG Info	Hydrochloric acid	Acidulant
	E0CP7I	DIG Info	Polysorbate 60	Dispersing agent ...
	E0HY7L	DIG Info	Triethanolamine lauryl sulfate	Complexing agent ...
	E0H2SC	DIG Info	Water	Solvent

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
Lyase/isomerase/ligase (L/I/G)
DBT Name: Carbonic anhydrase IV (CA4)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Hydrochloric acid
Biological Activity	Ki = 90000 nM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_HUMAN
DBT Name: Carbonic anhydrase V (CA5)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Hydrochloric acid
Biological Activity	Ki = 156 nM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH5A_HUMAN ; CAH5B_HUMAN
Cell line (CELL)
DBT Name: Ovarian cancer A2780 cells (A2780)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Triethanolamine lauryl sulfate
Biological Activity	IC50 = 10060 nM (estimated based on the structural similarity with CHEMBL3408657 )					[3]
Structural Similarity	Tanimoto coefficient = 0.754716981
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0134
DBT Name: Cervical cancer HeLa cells (HeLa)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Triethanolamine lauryl sulfate
Biological Activity	IC50 = 20300 nM (estimated based on the structural similarity with CHEMBL572050 )					[4]
Structural Similarity	Tanimoto coefficient = 0.754716981
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0030
DBT Name: Breast cancer MCF7 cells (MCF7)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Triethanolamine lauryl sulfate
Biological Activity	IC50 = 43340 nM (estimated based on the structural similarity with CHEMBL3408657 )					[3]
Structural Similarity	Tanimoto coefficient = 0.754716981
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0031

References
1	Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions. Bioorg Med Chem Lett. 2004 Dec 6; 14(23):5769-73.
2	Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.
3	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity. Eur J Med Chem. 2015 Mar 26; 93:263-73.
4	Synthesis and biological activity of dialkylphosphocholines. Bioorg Med Chem Lett. 2009 Nov 15; 19(22):6346-9.

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