VINCRISTINE SULFATE


Trade Names	MARQIBO KIT ONCOVIN VINCASAR PFS VINCREX VINCRISTINE SULFATE VINCRISTINE SULFATE PFS
Synonyms	37231 Kyocristine LILLY-37231 Leurocristine Sulfate Marqibo Marqibo kit NSC-67574 Novopharm Oncovin Vincasar Vincasar pfs Vincrex Vincristine sulfate Vincristine sulfate liposome Vincristine sulfate pfs
Status
Molecule Category	Salt-form
UNII	T5IRO3534A
EPA CompTox	DTXSID8044331
Parent Compound:	VINCRISTINE

Structure


InChI Key	AQTQHPDCURKLKT-JKDPCDLQSA-N
Smiles	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
InChI	InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C46H58N4O14S
Molecular Weight	923.05
AlogP	3.52
Hydrogen Bond Acceptor	12.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	171.17
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	60.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action	Action	Reference
Tubulin inhibitor	INHIBITOR	PubMed DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	2.81-10.9

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Electrophorus electricus	-	-	-	-	10.9
Equus caballus	-	-	-	-	2.81
Homo sapiens	-	1-690	-	-	-
Plasmodium falciparum	-	50.12-100	-	-	-
Plasmodium falciparum D10	-	199.53	-	-	-

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
ChEBI	79401
ChEMBL	CHEMBL501867
FDA SRS	T5IRO3534A
KEGG	C13974
PubChem	5388992
SureChEMBL	SCHEMBL3710
ZINC	ZINC85537024

CONTENTS