General
Preferred name
RUBITECAN
Synonyms
RFS 2000 ()
9-Nitrocamptothecin ()
9-NC, 9-Nitro-camptothecin, Partaject Orathecin, Partaject rubitecan, RFS 2000 ()
RFS2000 ()
9-nitro-20-(s)-camptothecin ()
9-NC ()
RFS-2000 ()
9-nitro-20(s)-camptothecin ()
P&D ID
PD072689
CAS
91421-42-0
Tags
available
drug
Drug indication
Human immunodeficiency virus infection
Drug Status
approved
investigational
Max Phase
3.0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
4
Organisms
0
Compound Sets
12
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
MedChem Express Bioactive Compound Library
Pandemic Response Box
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
393.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
3
cLogP
1.99
TPSA
124.56
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Target
Topoisomerase I
TOP1
Topoisomerase
MOA
Topoisomerase inhibitor
Source data
