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N-(3,5-Dimethoxyphenyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide acid

ID: ALA1277512

Chembl Id: CHEMBL1277512

PubChem CID: 52949235

Max Phase: Preclinical

Molecular Formula: C19H16ClN3O3

Molecular Weight: 369.81

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)n2)cc(OC)c1

Standard InChI: InChI=1S/C19H16ClN3O3/c1-25-15-7-14(8-16(9-15)26-2)22-19(24)18-11-21-10-17(23-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,24)

Standard InChI Key: CVPCOUAWFKLXEO-UHFFFAOYSA-N

Parent:

ALA1277512
N-(3,5-Dimethoxyphenyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide acid

SCN10A Tclin Sodium channel protein type X alpha subunit (396 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SCN2A Tclin Sodium channel protein type II alpha subunit (504 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Scn10a Sodium channel protein type X alpha subunit (425 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Scn10a Sodium channel protein type X alpha subunit (95 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 369.81	Molecular Weight (Monoisotopic): 369.0880	AlogP: 4.07	#Rotatable Bonds: 5
Polar Surface Area: 73.34	Molecular Species: NEUTRAL	HBA: 5	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): 1	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 13.72	CX Basic pKa: ┄	CX LogP: 3.34	CX LogD: 3.34
Aromatic Rings: 3	Heavy Atoms: 26	QED Weighted: 0.73	Np Likeness Score: -1.46

1. Scanio MJ, Shi L, Drizin I, Gregg RJ, Atkinson RN, Thomas JB, Johnson MS, Chapman ML, Liu D, Krambis MJ, Liu Y, Shieh CC, Zhang X, Simler GH, Joshi S, Honore P, Marsh KC, Knox A, Werness S, Antonio B, Krafte DS, Jarvis MF, Faltynek CR, Marron BE, Kort ME.. (2010) Discovery and biological evaluation of potent, selective, orally bioavailable, pyrazine-based blockers of the Na(v)1.8 sodium channel with efficacy in a model of neuropathic pain., 18 (22): [PMID:20965738] [10.1016/j.bmc.2010.09.057]

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