General
Preferred name
NAEPAINE
Synonyms
NAEPAINE HYDROCHLORIDE ()
Amylsine ()
NSC-41534 ()
Naepaine base ()
NSC-120971 ()
Amylsine hydrochloride ()
Naepaine hcl ()
P&D ID
PD073156
CAS
2188-67-2
614-42-6
Tags
available
drug candidate
drug
Drug Status
approved
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
4
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
250.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
2.21
TPSA
64.35
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
