MetaADEDB 2.0 @ LMMD
geldanamycin
(QTQAWLPCGQOSGP-KSRBKZBZSA-N)
Structure
SMILES
CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C
Type(s)
Experimental; Investigational
Molecular Formula:
C29H40N2O9
Molecular Weight:
560.636
Log P:
3.4375
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
3
TPSA:
163.48
CAS Number(s):
30562-34-6
Synonym(s)
1.
geldanamycin
2.
geldanomycin
External Link(s)
MeSHC001277
PubChem Compound5288382
BindingDB20740
50008059
ChEBI5292
91381
CHEMBLCHEMBL278315
DrugBankDB02424
IUPHAR/BPS Guide to PHARMACOLOGY9829
KEGGcpd:C11222
ZINC100064834
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Glioblastoma12811834CTD
2Hepatomegaly9664232CTD
3Neoplasm Invasiveness12811834CTD
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