MetaADEDB 2.0 @ LMMD
tanespimycin
(AYUNIORJHRXIBJ-TXHRRWQRSA-N)
Structure
SMILES
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)/[C@@H]([C@H](/C=C\C=C(\C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N
Type(s)
Investigational
Molecular Formula:
C31H43N3O8
Molecular Weight:
585.688
Log P:
3.9576
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
4
TPSA:
166.28
CAS Number(s):
75747-14-7
Synonym(s)
1.
tanespimycin
2.
17-(allylamino)-17-demethoxy-geldanamycin
3.
17-(allylamino)-17-demethoxygeldanamycin
4.
17-AAG
5.
17-allyl-aminogeldanamycin
6.
17-allylamino-17-demethoxygeldanamycin
7.
17-allylamino-17-demethoxygeldanamycin hydroquinone
8.
17-allylamino-17-demethoxygeldanamycin hydroquinone salt
9.
17-allylamino-geldanamycin
10.
17-allylaminogeldanamycin
11.
17AAG
12.
CNF1010
13.
IPI 493
14.
IPI 504
15.
IPI-493
16.
IPI-504
17.
IPI493
18.
IPI504
19.
NSC 330507
20.
NSC-330507
21.
retaspimycin hydrochloride
External Link(s)
MeSHC112765
PubChem Compound6505803
BindingDB50008057
ChEBI64153
94756
CHEMBLCHEMBL109480
DrugBankDB05134
KEGGdr:D06650
Therapeutic Target DatabaseD0XV0T
ZINC100014666
Adverse Drug Event(s)
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