Details of the Drug

General Information of Drug (ID: DMX8LY4)

Drug Name

NS-8

Synonyms

NS-8; 186033-14-7; 2-amino-3-cyano-4-methyl-5-(2-fluorophenyl)pyrrole; 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile; KVDWOQGDMAEJLM-UHFFFAOYSA-N; CHEMBL42661; SCHEMBL4624842; ZINC21886; MolPort-005-943-258; AKOS027201108; EN300-254366; 2-amino-3-cyano-4-methyl-5-(2fluorophenyl)pyrrole; Z2306534448

Indication

Disease Entry	ICD 11	Status	REF
Urinary incontinence	MF50.2	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

215.23

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H10FN3
IUPAC Name: 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
Canonical SMILES: CC1=C(NC(=C1C#N)N)C2=CC=CC=C2F
InChI: InChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3
InChIKey: KVDWOQGDMAEJLM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10176749
TTD ID: D08LLM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Nippon Shinyaku Co Ltd.
2	Stimulation of large-conductance calcium-activated potassium channels inhibits neurogenic contraction of human bladder from patients with urinary symptoms and reverses acetic acid-induced bladder hyperactivity in rats. Eur J Pharmacol. 2014 Jul 15;735:68-76.