VINORELBINE TARTRATE


Trade Names	NAVELBINE VINORELBINE TARTRATE
Synonyms	Liposomal vinorelbine tartrate Navelbine TLC-178 TLC178 Vinorelbine (as tartrate) Vinorelbine Ditartarate Vinorelbine ditartrate Vinorelbine liposomal Vinorelbine tartrate Vinorelbine tartrate (1:2)
Status
Molecule Category	Salt-form
UNII	253GQW851Q
EPA CompTox	DTXSID5047825
Parent Compound:	VINORELBINE

Structure


InChI Key	CILBMBUYJCWATM-UDRBCWGGSA-N
Smiles	CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O
InChI	InChI=1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;25-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;21-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-;;/m0../s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C53H66N4O20
Molecular Weight	1079.12
AlogP	4.75
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	133.87
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	57.0

Pharmacology

Mechanism of Action	Action	Reference
Tubulin inhibitor	INHIBITOR	PubMed PubMed DailyMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	9-9	-	-	-
Mus musculus	-	-	-	-	62.5

Target Conservation


Protein: Tubulin Description: Tubulin beta-4A chain Organism : Homo sapiens P04350 ENSG00000104833






Protein: Tubulin Description: Tubulin beta chain Organism : Homo sapiens P07437 ENSG00000196230










Protein: Tubulin Description: Tubulin alpha-3C chain Organism : Homo sapiens P0DPH7 ENSG00000198033












Protein: Tubulin Description: Tubulin alpha-1B chain Organism : Homo sapiens P68363 ENSG00000123416










Protein: Tubulin Description: Tubulin alpha-4A chain Organism : Homo sapiens P68366 ENSG00000127824










Protein: Tubulin Description: Tubulin beta-4B chain Organism : Homo sapiens P68371 ENSG00000188229














Protein: Tubulin Description: Tubulin beta-3 chain Organism : Homo sapiens Q13509 ENSG00000258947











Protein: Tubulin Description: Tubulin beta-2A chain Organism : Homo sapiens Q13885 ENSG00000137267











Protein: Tubulin Description: Tubulin beta-8 chain Organism : Homo sapiens Q3ZCM7 ENSG00000261456



Protein: Tubulin Description: Tubulin alpha-3E chain Organism : Homo sapiens Q6PEY2 ENSG00000152086











Protein: Tubulin Description: Tubulin alpha-1A chain Organism : Homo sapiens Q71U36 ENSG00000167552










Protein: Tubulin Description: Tubulin alpha-1C chain Organism : Homo sapiens Q9BQE3 ENSG00000167553










Protein: Tubulin Description: Tubulin beta-6 chain Organism : Homo sapiens Q9BUF5 ENSG00000176014











Protein: Tubulin Description: Tubulin beta-2B chain Organism : Homo sapiens Q9BVA1 ENSG00000137285













Protein: Tubulin Description: Tubulin beta-1 chain Organism : Homo sapiens Q9H4B7 ENSG00000101162

Cross References

Resources	Reference
ChEMBL	CHEMBL538943
FDA SRS	253GQW851Q
PubChem	11607738
SureChEMBL	SCHEMBL4764

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