MetaADEDB 2.0 @ LMMD
irofulven
(NICJCIQSJJKZAH-AWEZNQCLSA-N)
Structure
SMILES
OCC1=C(C)C=C2C1=C(C)C1([C@@](C2=O)(C)O)CC1
Type(s)
Investigational
Molecular Formula:
C15H18O3
Molecular Weight:
246.302
Log P:
1.6656
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
2
TPSA:
57.53
CAS Number(s):
158440-71-2
Synonym(s)
1.
irofulven
2.
6-(hydroxymethyl)acylfulvene
3.
6-hydroxymethylacylfulvene
4.
HMAF cpd
5.
MGI 114
6.
MGI-114
7.
MGI.114
External Link(s)
MeSHC102714
PubChem Compound148189
BindingDB50410835
ChEBI135002
CHEMBLCHEMBL118218
DrugBankDB05786
DrugCentral1483
KEGGdr:D04614
Therapeutic Target DatabaseD00EPT
ZINC3916310
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chromosome Aberrations23881331CTD
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