Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

421443 - Overview - Compound Synopsis

Synonyms
GDMGELDANAMYCIN
Geldanamycin
Molecular Formula
C29H40N2O9
InChI
InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
Smiles
COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O
Cross References
UniChem571086
canSAR421443
PDBe (Protein Data Bank Europe)GDM
ChEMBLCHEMBL278315
BindingDB50008059
BindingDB20740
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 560.273380862.408441180No


Compounds with the same scaffold


Image of compound ID: 421443
Murko Scaffold Family: 351 compoundsClick here to open a new canSAR search with these compounds

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