Details of the Drug

General Information of Drug (ID: DMX93AI)

Drug Name

Thiadiazolyl carboxamide derivative 1

Synonyms

PMID28270010-Compound-Figure18-1

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Patented	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

366.5

Topological Polar Surface Area (xlogp)

4.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H22N4OS
IUPAC Name: N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpyridine-3-carboxamide
Canonical SMILES: CCN(C1=NN=C(S1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CN=CC=C3
InChI: InChI=1S/C20H22N4OS/c1-5-24(18(25)15-7-6-12-21-13-15)19-23-22-17(26-19)14-8-10-16(11-9-14)20(2,3)4/h6-13H,5H2,1-4H3
InChIKey: XMRKDXZDAAFZDU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tropomyosin-related kinase A (TrkA)	TTTDVOJ	NTRK1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Alzheimer disease

ICD Disease Classification

8A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tropomyosin-related kinase A (TrkA)	DTT	NTRK1	8.72E-01	-0.04	-0.22

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Tropomyosin receptor kinase inhibitors: an updated patent review for 2010-2016 - Part I.Expert Opin Ther Pat. 2017 Jun;27(6):733-751.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
3	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
4	Safety and efficacy of MIM-D3 ophthalmic solutions in a randomized, placebo-controlled Phase 2 clinical trial in patients with dry eye. Clin Ophthalmol. 2013; 7: 1275-1285.
5	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6	Topical TrkA Kinase Inhibitor CT327 is an Effective, Novel Therapy for the Treatment of Pruritus due to Psoriasis: Results from Experimental Studies, and Efficacy and Safety of CT327 in a Phase 2b Clinical Trial in Patients with Psoriasis. Acta Derm Venereol. 2015 May;95(5):542-8.
7	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
8	National Cancer Institute Drug Dictionary (drug id 747694).
9	National Cancer Institute Drug Dictionary (drug id 766123).