GELDANAMYCIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z3K3VJ16KU

Structure
InChI Key QTQAWLPCGQOSGP-KSRBKZBZSA-N
Smile 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
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H40N2O9
Molecular Weight 560.64
AlogP 2.41
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 163.48
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase BCR family
- 1000-5000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 1000-5000 - - -
Other cytosolic protein
35 14-780 152-1000 - 100
Other membrane protein
- 10 - - -
Unclassified protein
- - 169-318 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
von Hippel-Lindau Disease 2 D006623 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5292
ChEMBL CHEMBL278315
DrugBank DB02424
EPA CompTox DTXSID7042691
FDA SRS Z3K3VJ16KU
Guide to Pharmacology 9829
KEGG C11222
PDB GDM
PubChem 5288382
SureChEMBL SCHEMBL4154
ZINC ZINC000100064834
CONTENTS