BECATECARIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A60X6MBU6G

Structure
InChI Key JSKFWUPVIZYJMR-UDOAKELVSA-N
Smile CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O
InChI
InChI=1S/C33H34Cl2N4O7/c1-4-37(5-2)12-13-38-31(43)22-20-15-8-6-10-17(34)24(15)36-25(20)27-21(23(22)32(38)44)16-9-7-11-18(35)26(16)39(27)33-29(42)28(41)30(45-3)19(14-40)46-33/h6-11,19,28-30,33,36,40-42H,4-5,12-14H2,1-3H3/t19-,28-,29-,30-,33-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H34Cl2N4O7
Molecular Weight 669.56
AlogP 4.3
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 140.49
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 46.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase II inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Biliary Tract Neoplasms 3 D001661 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Neuroblastoma 2 D009447 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 119673-08-4
ChEMBL CHEMBL2107313
DrugBank DB06362
FDA SRS A60X6MBU6G
PubChem 101524
SureChEMBL SCHEMBL5953787
ZINC ZINC000003950898
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