General
Preferred name
idarubicin
Synonyms
4-Demethoxydaunorubicin hydrochloride ()
IDARUBICIN HYDROCHLORIDE ()
4-demethoxydaunorubicin (NSC256439, 4-DMDR) HCl ()
Zavedos ()
Idamycin ()
Idarubicin HCl ()
Idarubicin (hydrochloride) ()
IMI-30 ()
Idarubicin Hydrochloride Pfs ()
IMI 30 ()
Idamycin Pfs ()
NSC-256439 ()
Idarubicine ()
Idarubicina ()
Idarubicin (hydrochloride) ()
P&D ID
PD002710
CAS
57852-57-0
58957-92-9
Tags
available
natural product
drug
Approved by
FDA
First approval
1990
Drug indication
Acute myeloid leukaemia
Antineoplastic
Drug Status
approved
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Idarubicin is an anthracycline type antineoplastic drug.
(GtoPdb)
DESCRIPTION
Idarubicin HCl is a hydrochloride salt form of Idarubicin which is an anthracycline antibiotic and a DNA topoisomerase II (topo II) inhibitor for MCF-7 cells with IC50 of 3.3 ng/mL.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Antineoplastic
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
8
Organisms
5
Compound Sets
22
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
NIH Clinical Collections (NCC)
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
66
Molecular Weight
497.17
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
2
cLogP
1.02
TPSA
176.61
Fraction CSP3
0.42
Chiral centers
6.0
Largest ring
6.0
QED
0.33
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Anti-infection
Apoptosis
Autophagy
Cell Cycle/DNA Damage
Target
Multicellular spheroids
Topo II (MCF-7 cells)
TOP2A
antibiotic
Bacterial
c-Myc
DNA/RNA Synthesis
Fungal
Topoisomerase
Indication
acute myeloid leukemia (AML)
MOA
Topoisomerase inhibitor
Biosynthetic Origin
Polyketide (Aromatic), Carbohydrate (Aminoglycoside)
Therapeutic Indication
Anticancer
Therapeutic Class
Anticancer Agents
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly)
Source data
