General
Preferred name
DAUNORUBICIN HYDROCHLORIDE
Synonyms
daunorubicin ()
Daunomycin ()
Daunomycin hydrochloride ()
Daunoblastin ()
Antibiotics from Streptomyces coeruleorubidus ()
Rubidomycin hydrochloride ()
(1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenedione, hydrochloride, (8S-cis)- ()
L-lyxo-Hexopyranoside, 3.beta.-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naththacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride ()
5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, hydrochloride ()
P&D ID
PD003035
CAS
23541-50-6
56390-08-0
71214-33-0
Tags
natural product
drug
available
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Selective JNK inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION RNA synthesis inhibitor (Tocriscreen Total)
Compound Sets
4
NIH Approved Oncology Drugs
301154
NIH Clinical Collections (NCC)
Tocris Bioactive Compound Library
1467
Tocriscreen Total
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
527.18
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
1.03
TPSA
185.84
Fraction CSP3
0.44
Chiral centers
6.0
Largest ring
6.0
QED
0.31
Structural alerts
3
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Intercalation
Nuisance compounds in cellular assays
Optical interference
Fluorescence
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Primary Target
DNA Topoisomerases
MOA
Inhibitor
Source data