DABRAFENIB MESYLATE

Search structure


Trade Names:	TAFINLAR
Synonyms:	Dabrafenib mesilate Dabrafenib mesylate GSK-2118436B GSK2118436B GSK-2118436B MESYLATE GSK-2118436B METHANESULFONATE SALT GSK2118436B, METHANE SULFONATE SALT GSK-2118436 METHANESULFONATE SALT METHANE SULFONATE SALT Tafinlar
Status:	Approved (2013)
Entry Type:	Small molecule
Molecule Category:	Salt
UNII:	B6DC89I63E
Parent Compound:	DABRAFENIB

Structure


InChI Key	YKGMKSIHIVVYKY-UHFFFAOYSA-N
Smile	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1.CS(=O)(=O)O
InChI	InChI=1S/C23H20F3N5O2S2.CH4O3S/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H24F3N5O5S3
Molecular Weight	615.68
AlogP	5.36
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	110.86
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	35.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Serine/threonine-protein kinase B-raf inhibitor	DailyMed

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Thyroid Neoplasms	4	D013964	ClinicalTrials
Melanoma	4	D008545	ClinicalTrials
Multiple Myeloma	2	D009101	ClinicalTrials
Erdheim-Chester Disease	2	D031249	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Parent

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
General disorders and administration site conditions	17.85
Investigations	8.47
Skin and subcutaneous tissue disorders	8.43
Gastrointestinal disorders	8.29
Nervous system disorders	8.04
Neoplasms benign, malignant and unspecified (incl cysts and polyps)	6.71
Musculoskeletal and connective tissue disorders	5.33
Vascular disorders	4.63
Respiratory, thoracic and mediastinal disorders	4.38
Metabolism and nutrition disorders	3.78
Infections and infestations	3.6
Cardiac disorders	3.26
Blood and lymphatic system disorders	2.81
Injury, poisoning and procedural complications	2.55
Eye disorders	2.53
Psychiatric disorders	2.38

Cross References

Resources	Reference
ChEBI	75048
ChEMBL	CHEMBL2105729
EPA CompTox	DTXSID70152500
FDA SRS	B6DC89I63E
KEGG	D10064
PubChem	44516822
SureChEMBL	SCHEMBL1127269
ZINC	ZINC68153186

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