LURTOTECAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4J1L80T08I

Structure
InChI Key RVFGKBWWUQOIOU-NDEPHWFRSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCCO3
InChI
InChI=1S/C28H30N4O6/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23/h10-12,35H,3-9,13-15H2,1-2H3/t28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H30N4O6
Molecular Weight 518.57
AlogP 1.6
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 106.36
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL305666
DrugBank DB12222
EPA CompTox DTXSID30164422
FDA SRS 4J1L80T08I
PubChem 60956
SureChEMBL SCHEMBL19208
ZINC ZINC000022010625
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