General
Preferred name
IROFULVEN
Synonyms
E7850 ()
(-)-Irofulven ()
MGI 114 ()
6-Hydroxymethylacylfulvene ()
NSC 683863 ()
(hydroxymethyl)acylfulvene ()
LP-100 ()
MGI-114 ()
NSC-683863 ()
P&D ID
PD008947
CAS
158440-71-2
Tags
available
drug
Drug indication
Solid tumour/cancer
Drug Status
investigational
approved
Max Phase
Phase 3
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
25
Organisms
0
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
246.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
0
cLogP
1.67
TPSA
57.53
Fraction CSP3
0.53
Chiral centers
1.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cell Cycle/DNA Damage
Target
DNA alkylator/crosslinker
Source data
