General
Preferred name
dihydroergocristine
Synonyms
DIHYDROERGOCRISTINE MESYLATE ()
Dihydroergocristine methanesulfonate ()
Dihydroergocristine (mesylate) ()
P-3004 ()
DHEC (mesylate) ()
GNF-Pf-3462 ()
9,10-dihydroergocristine ()
P&D ID
PD071232
CAS
17479-19-5
11024-29-6
24730-10-7
Tags
natural product
drug
available
First approval
1975
Drug Status
experimental
approved
Drug indication
Alcohol dependence
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 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)
Cell lines
0
Organisms
3
Compound Sets
14
Cayman Chemical Bioactives
29492
ChEMBL Drugs
CHEMBL601773
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
Tocriscreen Plus
0474
Tocriscreen Total
External IDs
42
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-¦Â
ADRA1A, ADRB1, DRD1, DRD2, DRD3, DRD4, DRD5, HTR1A, HTR2A, HTR3A, HTR4, HTR5A, HTR6, HTR7
Amyloid-β
Indication
senile dementia, cerebrovascular insufficiency
MOA
adrenergic receptor antagonist, prolactin inhibitor
Pathway
Neuronal Signaling
Source data