LAROTAXEL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TWQ8K8A81Y

Structure
InChI Key DXOJIXGRFSHVKA-BZVZGCBYSA-N
Smile CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C
InChI
InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H53NO14
Molecular Weight 831.91
AlogP 4.47
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 210.29
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 60.0

Pharmacology

Action Mechanism of Action Reference
STABILISER Tubulin stabiliser PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4279455
DrugBank DB12984
FDA SRS TWQ8K8A81Y
SureChEMBL SCHEMBL125697
ZINC ZINC000095627892
CONTENTS