MetaADEDB 2.0 @ LMMD
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
(KUFRQPKVAWMTJO-LMZWQJSESA-N)
Structure
SMILES
CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)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)
Investigational
Molecular Formula:
C32H48N4O8
Molecular Weight:
616.746
Log P:
3.3332
Hydrogen Bond Acceptor:
12
Hydrogen Bond Donor:
4
TPSA:
169.52
CAS Number(s):
150270-08-9; 467214-20-6
Synonym(s)
1.
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
2.
17-(dimethylaminoethylamino)-17-demethoxy-geldanamycin
3.
17-DMAG
4.
17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin
5.
17-dimethylaminoethylamino-17-demethoxy-geldanamycin
6.
17DMAG
7.
KOS 1022
8.
KOS-1022
9.
KOS1022
10.
NSC 707545
11.
NSC707545
12.
alvespimycin
External Link(s)
MeSHC448659
PubChem Compound5288674
BindingDB50005781
ChEBI94772
65324
CHEMBLCHEMBL383824
DrugBankDB12442
IUPHAR/BPS Guide to PHARMACOLOGY9828
ZINC100030312
Adverse Drug Event(s)
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