General
Preferred name
Abamectin B1a
Synonyms
AVERMECTIN B1A ()
ABAMECTIN COMPONENT B1A ()
5-o-demethylavermectin a1a ()
Avermectin a1a, 5-o-demethyl- ()
P&D ID
PD101596
CAS
73989-17-0
71751-41-2
65195-55-3
Tags
available
drug candidate
natural product
Drug indication
Parasitic worm infestations
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 ]]
Cell lines
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
872.49
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
7
Aromatic Ring Count
0
cLogP
5.38
TPSA
170.06
Fraction CSP3
0.77
Chiral centers
20.0
Largest ring
16.0
QED
0.21
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
antibiotic
Parasite
Source data
