General
Preferred name
GELDANAMYCIN
Synonyms
NSC-122750 ()
P&D ID
PD021225
CAS
1955474-12-0
30562-34-6
Tags
drug candidate
natural product
available
Drug indication
Peripheral nerve damage
Kidney cancer
Drug Status
experimental
investigational
Max Phase
Phase 2
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Geldanamycin is a benzoquinone antibacterial that inhibits HSP90 and promotes the proteasomal degradation of oncogenic signaling proteins. (GtoPdb)
Cell lines
37
Organisms
3
Compound Sets
7
Cayman Chemical Bioactives
13355
ChEMBL Drugs
CHEMBL278315
DrugBank
DB02424
DrugMAP
DMS7TC5
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101988
Guide to Pharmacology
9829
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
560.27
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
0
cLogP
2.41
TPSA
163.48
Fraction CSP3
0.52
Chiral centers
6.0
Largest ring
19.0
QED
0.35
Structural alerts
2
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Hsp90 inhibiton
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data