General
Preferred name
CILANSETRON
Synonyms
CILANSETRON HYDROCHLORIDE ()
KC-9946 ()
DU123265 ()
DU-123265 ()
Calmactin ()
Cilansetron hcl ()
P&D ID
PD008690
CAS
120635-74-7
Tags
available
drug candidate
Drug indication
Irritable bowel syndrome
Drug Status
investigational
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
0
Organisms
1
Compound Sets
4
ChEMBL Drugs
DrugBank
DrugMAP
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
319.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
3
cLogP
3.54
TPSA
39.82
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
