Details of the Drug

General Information of Drug (ID: DMRFY7I)

Drug Name

ICA-17043

Synonyms

Senicapoc; 289656-45-7; 2,2-bis(4-fluorophenyl)-2-phenylacetamide; UNII-TS6G201A6Q; TS6G201A6Q; 2,2-BIS(4-FLUOROPHENYL)-2-PHENYL-ACETAMIDE; AK-79332; Senicapoc (USAN); Bis(4-fluorophenyl)phenylacetamide; Senicapoc [USAN:INN]; ICA 17043; C20H15F2NO; PubChem19381; 4-Fluoro-alpha-(4-fluorophenyl)-alpha-phenylbenzeneacetamide; AC1Q4NLN; AC1L50IL; CHEMBL405821; SCHEMBL1443805; GTPL2331; CTK4G2492; DTXSID60276906; SCTZUZTYRMOMKT-UHFFFAOYSA-N; MolPort-019-996-128; BCP14507; ACT06676; ZINC3816408; KS-00000XJ3; BBL102413; STL556215; Senicapoc

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 2	[1]
Constitutional neutropenia	4B00.0	Discontinued in Phase 2	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H15F2NO
IUPAC Name: 2,2-bis(4-fluorophenyl)-2-phenylacetamide
Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C(=O)N
InChI: InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
InChIKey: SCTZUZTYRMOMKT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 216327
CAS Number: 289656-45-7
TTD ID: D00BUR

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-activated potassium channel (KCN)	TTMNI76	NOUNIPROTAC	Inhibitor	[3]
Calcium-activated potassium channel KCa3.1 (KCNN4)	TT7M9I6	KCNN4_HUMAN	Modulator	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2331).
3	Novel inhibitors of the Gardos channel for the treatment of sickle cell disease. J Med Chem. 2008 Feb 28;51(4):976-82.
4	Senicapoc (ICA-17043): a potential therapy for the prevention and treatment of hemolysis-associated complications in sickle cell anemia.Expert Opin Investig Drugs.2009 Feb;18(2):231-9.