AMRUBICIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01DB10
UNII: 93N13LB4Z2

Structure
InChI Key VJZITPJGSQKZMX-XDPRQOKASA-N
Smile CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O
InChI
InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25NO9
Molecular Weight 483.47
AlogP 0.63
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 176.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Small Cell Lung Carcinoma 3 D055752 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Thymoma 2 D013945 ClinicalTrials
Thymoma 2 D013945 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 110267-81-7
ChEBI 135779
ChEMBL CHEMBL1186894
DrugBank DB06263
DrugCentral 202
FDA SRS 93N13LB4Z2
PubChem 3035016
SureChEMBL SCHEMBL9140
ZINC ZINC000003780800
CONTENTS