General
Preferred name
MELITRACEN
Synonyms
Trausabun ()
Thymeol hydrochloride ()
Melixeran ()
MELITRACEN HYDROCHLORIDE ()
Melitracen (hydrochloride) ()
Adelax ()
U-24,973A ()
U-24973A ()
U 24973A ()
U 24,973A ()
Melitracen hcl ()
NSC-78229 ()
P&D ID
PD014108
CAS
10563-70-9
5118-29-6
Tags
available
drug candidate
drug
Drug Status
experimental
investigational
approved
Max Phase
Phase 3
Drug indication
Antidepressant
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Melitracen hydrochloride is a potential dopamine D1/2 receptor antagonist. It has been used in combination with flupentixol in depression therapy. (BOC Sciences Bioactive Compounds)
Compound Sets
11
BOC Sciences Bioactive Compounds
melitracen-hydrochloride-cas-10563-70-9-item-8811
ChEMBL Drugs
CHEMBL110094
CHEMBL2107109
DrugBank
DB13384
DrugCentral
1675
DrugCentral Approved Drugs
1675
DrugMatrix
MedChem Express Bioactive Compound Library
HY-108256
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
melitracen-hydrochloride
TargetMol Bioactive Compound Library
T4274
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
291.2
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
4.71
TPSA
3.24
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.79
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
GPCR/G protein
Neuronal Signaling
Target
D1
D2
5-HT Receptor
MOA
Dopamine Receptor
Source data