General
Preferred name
zuclopenthixol
Synonyms
trans-Clopenthixol (dihydrochloride) ()
CLOPENTHIXOL ()
(E)-Clopenthixol (dihydrochloride) ()
NSC-64087 ()
N-746 ()
Chlorpenthixol ()
AY-62021 ()
Sordinol ()
Clopenthixol ()
P&D ID
PD086257
CAS
53772-84-2
58045-22-0
Tags
drug candidate
natural product
available
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
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
400.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
4.24
TPSA
26.71
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
1
styrene_B(8)
c:1:c:c-2:c(:c:c:1)-[#6](-c:3:c(-[$([#16;X2]),$([#6;X4])]-2):c:c:[c;!H0,$(c-[#17]),$(c-[#6;X4])](:c:3))=[#6]-[#6]
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
antibiotic
Bacterial
Parasite
Source data
