General
Preferred name
BEFIRADOL
Synonyms
[3H]NLX-112 ()
Befiradol (hydrochloride) ()
F 13640 ()
NLX-112 ()
F13640 ()
NLX-112 (hydrochloride) ()
F 13640 (hydrochloride) ()
[3H]NLX-112 ()
F-13640 ()
P&D ID
PD048391
CAS
208110-64-9
2436760-81-3
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
Phase 2
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
10
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
393.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
3.92
TPSA
45.23
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Neuronal Signaling
Target
5-HT Receptor
Source data
