General
Preferred name
carubicin
Synonyms
CARMINOMYCIN ()
Carubicin (hydrochloride) ()
CARUBICIN HYDROCHLORIDE ()
Carminomycin (hydrochloride) ()
Carminomicin I (hydrochloride) ()
NSC-180024 ()
Carminomycin ()
Carubicin hcl ()
Carminomycin hydrochloride ()
NSC-275649 ()
P&D ID
PD072215
CAS
50935-04-1
52794-97-5
Tags
drug candidate
natural product
drug
available
Drug Status
approved
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
Cayman Chemical Bioactives
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
513.16
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
6
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
2
cLogP
0.73
TPSA
196.84
Fraction CSP3
0.42
Chiral centers
6.0
Largest ring
6.0
QED
0.27
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
Apoptosis
Source data
