General
Preferred name
Dethiobiotin
Synonyms
DESTHIOBIOTIN (+) ()
D-Desthiobiotin ()
P&D ID
PD002497
CAS
15720-25-9
533-48-2
Tags
drug candidate
nuisance
natural product
available
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
7
AdooQ Bioactive Compound Library
A19180
Cayman Chemical Bioactives
30418
DrugBank
DB03775
MedChem Express Bioactive Compound Library
HY-128699
Nuisance compounds in cellular assays
TargetMol Bioactive Compound Library
T19259
The Spectrum Collection
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
214.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
0
cLogP
1.09
TPSA
78.43
Fraction CSP3
0.8
Chiral centers
2.0
Largest ring
5.0
QED
0.58
Structural alerts
1
Streptavidin-biotin disruption
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Endogenous Metabolite
Source data