General
Preferred name
VALRUBICIN
Synonyms
AD-32 ()
Valstar preservative free ()
NSC-246131 ()
AD 32 ()
Valstar ()
P&D ID
PD014197
CAS
56124-62-0
Tags
natural product
drug
available
Approved by
FDA
First approval
1998
Drug Status
approved
Drug indication
Psoriasis vulgaris
Bladder cancer
Max Phase
Phase 4
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)
PHARMACODYNAMICS
Valrubicin is an anticancer agent.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
16
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
JUMP-MOA Compound Set
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
723.21
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
5
Rotatable Bonds
10
Ring Count
5
Aromatic Ring Count
2
cLogP
2.46
TPSA
215.22
Fraction CSP3
0.5
Chiral centers
6.0
Largest ring
6.0
QED
0.15
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)
MOA
DNA inhibitor, topoisomerase inhibitor
DNA inhibitor
Indication
bladder cancer
Target
TOP2A
antibiotic
PKC
Therapeutic Class
Anticancer Agents
Pathway
Anti-infection
Epigenetics
TGF-beta/Smad
Source data
