LAROTRECTINIB SULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII RDF76R62ID
Parent Compound: LAROTRECTINIB

Structure

InChI Key PXHANKVTFWSDSG-QLOBERJESA-N
Smiles 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

Mechanism of Action Action Reference
Neurotrophic tyrosine kinase receptor inhibitor 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
- 2-5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.9-5 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3989939
FDA SRS RDF76R62ID
PubChem 67330085
SureChEMBL SCHEMBL2239598
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