General
Preferred name
dihydroergocristine
Synonyms
DIHYDROERGOCRISTINE MESYLATE ()
Dihydroergocristine methanesulfonate ()
DHEC (mesylate) ()
P-3004 ()
Dihydroergocristine (mesylate) ()
9,10-dihydroergocristine methanesulfonate ()
GNF-Pf-3462 ()
9,10-dihydroergocristine ()
P&D ID
PD071232
CAS
17479-19-5
11024-29-6
24730-10-7
Tags
available
drug
First approval
1975
Drug indication
Alcohol dependence
Cardiovascular disease
Drug Status
approved
experimental
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 Dihydroergocristine mesylate (DHEC mesylate) is a inhibitor of ¦Ã-secretase (GSI), reduces the production of the Alzheimer's disease amyloid-¦Â peptides, binds directly to ¦Ã-secretase and Nicastrin with equilibrium dissociation constants (Kd) of 25.7 nM and 9.8 ¦ÌM, respectively[1].
PRICE 234
DESCRIPTION Dihydroergocristine mesylate (DHEC (mesylate))(DHEC mesylate) is the methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. Dihydroergocristine mesylate is a inhibitor of ??-secretase (GSI), , reduces the production of the Alzheimer's disease amyloid-?? peptides, binds directly to ??-secretase and Nicastrin with equilibrium dissociation constants (Kd) of 25.7 nM and 9.8 ??M, respectively[1]. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia. It has a role as a vasodilator agent, an alpha-adrenergic antagonist and a geroprotector. It contains a dihydroergocristine.
DESCRIPTION Partial alpha agonist. Non-selective (Tocriscreen Plus)
DESCRIPTION Ergot alkaloid; vasoconstrictor; partial agonist at dopaminergic receptors and adrenoceptors; antagonist at serotonergic receptors (LOPAC library)
DESCRIPTION Partial α agonist. Non-selective (Tocriscreen Total)
DESCRIPTION Dihydroergocristine mesylate (DHEC (mesylate))(DHEC mesylate) is the methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. Dihydroergocristine mesylate is a inhibitor of γ-secretase (GSI), , reduces the production of the Alzheimer's disease amyloid-β peptides, binds directly to γ-secretase and Nicastrin with equilibrium dissociation constants (Kd) of 25.7 nM and 9.8 μM, respectively[1]. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia. It has a role as a vasodilator agent, an alpha-adrenergic antagonist and a geroprotector. It contains a dihydroergocristine. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
3
Compound Sets
16
Cayman Chemical Bioactives
29492
ChEMBL Drugs
CHEMBL601773
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB13345
DrugBank Approved Drugs
DB13345
DrugCentral
887
DrugCentral Approved Drugs
887
DrugMAP
DM5SQ1G
DrugMAP Approved Drugs
DM5SQ1G
LOPAC library
MedChem Express Bioactive Compound Library
HY-N2319
ReFrame library
TargetMol Bioactive Compound Library
T11043
Tocriscreen Plus
0474
Tocriscreen Total
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
611.31
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
8
Aromatic Ring Count
3
cLogP
2.72
TPSA
118.21
Fraction CSP3
0.51
Chiral centers
7.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Target
Amyloid-β
Amyloid-¦Â
ADRA1A, ADRB1, DRD1, DRD2, DRD3, DRD4, DRD5, HTR1A, HTR2A, HTR3A, HTR4, HTR5A, HTR6, HTR7
Indication
senile dementia, cerebrovascular insufficiency
MOA
adrenergic receptor antagonist, prolactin inhibitor
Pathway
Neuronal Signaling
Neuroscience
Source data