General
Preferred name
SERGOLEXOLE
Synonyms
SERGOLEXOLE MALEATE ()
LY281067 ()
LY-281067 ()
P&D ID
PD049331
CAS
108674-87-9
Tags
drug candidate
natural product
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Please note there is some ambiguity in the literature and on other resources as to the exact stereochemistry of sergolexole. The structure shown here is drawn from the INN document. Sergolexole is represented on PubChem by CID 60262, which has specification of stereochemistry for fewer chiral centres that the INN document and our structure. The ChEMBL entry CHEMBL2110594 represents the same structure as PubChem.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
ChEMBL Drugs
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Molecular Weight
424.27
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
4.68
TPSA
43.7
Fraction CSP3
0.65
Chiral centers
3.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
