Details of the Drug

General Information of Drug (ID: DMUNFEP)

Drug Name

GDC0310

Synonyms

RG6029; FCTMRPTVPHVTTN-UHFFFAOYSA-N; SCHEMBL16770884; BDBM71258; BCP25347; US9694002, 346; 1788066-71-6

Indication

Disease Entry	ICD 11	Status	REF
Chronic pain	MG30	Phase 1	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

599

Topological Polar Surface Area (xlogp)

5.6

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C25H25ClF6N2O4S
IUPAC Name: 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
Canonical SMILES: CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3(CCN(CC3)CC4=C(C(=CC(=C4)C(F)(F)F)Cl)F)F)F
InChI: InChI=1S/C25H25ClF6N2O4S/c1-39(36,37)33-23(35)18-10-17(14-2-3-14)21(11-20(18)27)38-13-24(29)4-6-34(7-5-24)12-15-8-16(25(30,31)32)9-19(26)22(15)28/h8-11,14H,2-7,12-13H2,1H3,(H,33,35)
InChIKey: FCTMRPTVPHVTTN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.7 (SCN9A)	TT4G2JS	SCN9A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Chronic pain

ICD Disease Classification

MG30

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Voltage-gated sodium channel alpha Nav1.7 (SCN9A)	DTT	SCN9A	1.42E-03	-0.12	-0.36

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	Treatment of Na(v)1.7-mediated pain in inherited erythromelalgia using a novel sodium channel blocker. Pain. 2012 Jan;153(1):80-5.
3	Primary erythromelalgia: a review. Orphanet J Rare Dis. 2015 Sep 30;10:127.
4	Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
5	Recent progress in sodium channel modulators for pain. Bioorg Med Chem Lett. 2014 Aug 15;24(16):3690-9.
6	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800041740)
7	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026875)