General
Preferred name
MELPHALAN
Synonyms
SARCOLYSIN ()
Sarcolisina ()
Melphalan dl-form ()
Merphalan ()
Sarcolysine ()
Sarcolysin, dl- ()
Dl-phenylalanine mustard ()
P&D ID
PD014949
CAS
46993-34-4
531-76-0
Tags
drug candidate
available
Drug Status
investigational
Max Phase
2.0
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Antineoplastic; forms DNA intrastrand crosslinks by bifunctional alkylation in 5'-GGC sequences
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Molecular Weight
304.07
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
1.93
TPSA
66.56
Fraction CSP3
0.46
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
1
Genotoxic
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Selectivity
GCC
Source data
