General
Preferred name
PIRITREXIM
Synonyms
PIRITREXIM ISETHIONATE ()
BW-301U ()
Bw 301u ()
TCMDC-137235 ()
Piritrexim isetionate ()
BW 301U ISETHIONATE ()
NSC-351521 ()
P&D ID
PD006695
CAS
72732-56-0
79483-69-5
Tags
available
drug candidate
Drug indication
Antiproliferative Agent
Bladder cancer
Drug Status
investigational
Max Phase
Phase 2
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
8
Organisms
1
Compound Sets
6
ChEMBL Drugs
DrugBank
DrugMAP
DrugMatrix
Guide to Pharmacology
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
325.15
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
2.11
TPSA
109.17
Fraction CSP3
0.24
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
