General
Preferred name
BATABULIN
Synonyms
TL-138067 ()
T138067 ()
T138067 (sodium) ()
Batabulin (sodium) ()
TL-057 ()
TL057 ()
Batabuline ()
T-138067 ()
TL 057 ()
T-67 ()
Batabulina ()
T67 ()
T138067-SODIUM ()
T-138067 SODIUM ()
BATABULIN SODIUM ()
Batabulin (sodium salt) ()
P&D ID
PD067428
CAS
195533-53-0
195533-98-3
Tags
available
drug candidate
covalent binder
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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
8
Organisms
1
Compound Sets
9
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugMAP
DrugMatrix
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
371.01
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
3.33
TPSA
55.4
Fraction CSP3
0.08
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cytoskeletal Signaling
Cell Cycle/DNA Damage
cytoskeleton
Target
Tubulin ??
Microtubule/Tubulin
Source data
