VINORELBINE

Search structure
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01CA04
UNII: Q6C979R91Y

Structure
InChI Key GBABOYUKABKIAF-IELIFDKJSA-N
Smile 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
InChI
InChI=1S/C45H54N4O8/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/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H54N4O8
Molecular Weight 778.95
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0
Structural protein
- 700-2000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Lymphoma, Non-Hodgkin 3 D008228 ClinicalTrials
Rhabdomyosarcoma, Alveolar 3 D018232 ClinicalTrials
Rhabdomyosarcoma, Embryonal 3 D018233 ClinicalTrials
Mesothelioma 3 D008654 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Mesothelioma 3 D008654 ClinicalTrials
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Carcinoma 3 D002277 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Lymphoma, Large-Cell, Anaplastic 2 D017728 ClinicalTrials
Carcinoma, Large Cell 2 D018287 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Adenocarcinoma of Lung 2 D000077192 ClinicalTrials
Rhabdomyosarcoma 2 D012208 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Diffuse Intrinsic Pontine Glioma 2 D000080443 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Desmoplastic Small Round Cell Tumor 1 D058405 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials

Related Entries

Scaffolds

Salt
UNKNOWN

Cross References

Resources Reference
CAS NUMBER 71486-22-1
ChEBI 480999
ChEMBL CHEMBL553025
DrugBank DB00361
DrugCentral 2827
EPA CompTox DTXSID8040640
FDA SRS Q6C979R91Y
Guide to Pharmacology 7105
PubChem 5311497
SureChEMBL SCHEMBL4765
ZINC ZINC000085536958
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