General
Preferred name
Avermectin B1b
Synonyms
ABAMECTIN COMPONENT B1B ()
Abamectin component b1b component of ivermectin b1b ()
Ivermectin B1b ()
Abamectin b1b ()
22,23-dihydroavermectin b1b ()
P&D ID
PD017803
CAS
65195-56-4
Tags
available
drug candidate
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
858.48
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
0
cLogP
4.99
TPSA
170.06
Fraction CSP3
0.77
Chiral centers
19.0
Largest ring
16.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
gastrointestinal parasites
Target
GABBR1, GABBR2
MOA
benzodiazepine receptor agonist
Source data
