LAROTRECTINIB SULFATE

Search structure


Trade Names:	VITRAKVI
Synonyms:	ARRY-470 SULFATE Larotrectinib sulfate LOXO-101 sulfate Vitrakvi
Status:	Approved (2018)
Entry Type:	Small molecule
Molecule Category:	Salt
UNII:	RDF76R62ID
Parent Compound:	LAROTRECTINIB

Structure


InChI Key	PXHANKVTFWSDSG-QLOBERJESA-N
Smile	O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O
InChI	InChI=1S/C21H22F2N6O2.H2O4S/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27;1-5(2,3)4/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31);(H2,1,2,3,4)/t14-,18+;/m0./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H24F2N6O6S
Molecular Weight	526.52
AlogP	2.95
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	86.0
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Neurotrophic tyrosine kinase receptor inhibitor	FDA PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family	-	2	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Neoplasms	4	D009369	FDA
Neoplasms	4	D009369	ClinicalTrials
Neoplasm Metastasis	4	D009362	FDA

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 (%)
Nervous system disorders	15.44
General disorders and administration site conditions	13.33
Cardiac disorders	8.07
Respiratory, thoracic and mediastinal disorders	8.07
Injury, poisoning and procedural complications	7.72
Investigations	6.67
Vascular disorders	6.67
Skin and subcutaneous tissue disorders	5.26
Infections and infestations	4.91
Musculoskeletal and connective tissue disorders	4.56
Immune system disorders	3.51
Psychiatric disorders	3.51
Hepatobiliary disorders	2.81
Neoplasms benign, malignant and unspecified (incl cysts and polyps)	2.81

Cross References

Resources	Reference
ChEMBL	CHEMBL3989939
FDA SRS	RDF76R62ID
PubChem	67330085
SureChEMBL	SCHEMBL2239598

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