General
Preferred name
TRETAZICAR
Synonyms
CB 1954 ()
5-Aziridino-2,4-dinitrobenzamide ()
CB1954 ()
NSC 115829 ()
Tretazicar, NSC 115829 ()
CB-1954 ()
NSC-115829 ()
P&D ID
PD002790
CAS
21919-05-1
Tags
available
drug candidate
Drug indication
Hepatocellular carcinoma
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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 Tretazicar (CB 1954), an antitumor proagent, is highly selective against the Walker 256 rat tumour line. Tretazicar is enzymatically activated to generate a bifunctional agent, which can form DNA-DNA interstrand cross-links. Tretazicar in rat cells involves the reduction of its 4-nitro group to a 4-hydroxylamine by the enzyme NAD(P)H:quinone oxidoreductase 1 (NQO1)[1][2].
PRICE 47
DESCRIPTION Prodrug activated by NAD(P)H quinone oxidoreductase-2 (LOPAC library)
DESCRIPTION CB1954(Tretazicar (NSC-115829)), an anticancer prodrug, is activated by NAD(P)H quinone oxidoreductase 2. It is converted in the presence of the enzyme NQO2 and co-substrate caricotamide ( EP-0152R) (EP) into a potent cytotoxic bifunctional alkylating agent. (TargetMol Bioactive Compound Library)
Cell lines
7
Organisms
2
Compound Sets
14
AdooQ Bioactive Compound Library
A15862
Cayman Chemical Bioactives
21023
ChEMBL Drugs
CHEMBL23330
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB04253
DrugMAP
DMVP4YK
EU-OPENSCREEN Bioactive Compound Library
EOS102346
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL23330
MedChem Express Bioactive Compound Library
HY-13543
ReFrame library
Selleckchem Bioactive Compound Library
cb1954
TargetMol Bioactive Compound Library
T6798
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
252.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
0.42
TPSA
132.38
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
DNA alkylator
DNA alkylator/crosslinker
NQO2
Quinone Reductase
MOA
DNA replication inhibitor
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
DNA Damage/DNA Repair
Source data