General
Preferred name
TETRAHYDROPALMATINE
Synonyms
Gindarine ()
L-Tetrahydropalmatine ()
CASEANINE ()
(-)-Tetrahydropalmatine ()
(S)-(-)-Tetrahydropalmatine ()
Rotundine ()
L-tetrahydropalmatine, L-THP ()
D-Tetrahydropalmatine ()
Levo-tetrahydropalmatine ()
Hyndarine ()
Tetrahydropalmatine, l- ()
(-)-rotundine ()
Tetrahydropalmatine l-form ()
Tetrahydropalmatine, dl- ()
Tetrahydropalmatine, (-)- ()
(-)-corydalis b ()
P&D ID
PD010720
CAS
6808-63-5
483-14-7
3520-14-7
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
cocaine 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)
PRICE 29
DESCRIPTION Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 ¦ÌM and 3.3 ¦ÌM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM.
PRICE 74
DESCRIPTION Rotundine (Gindarine) (L-tetrahydropalmatine, L-THP) is a selective dopamine D1 receptor antagonist with IC50 of 166 nM. (TargetMol Bioactive Compound Library)
DESCRIPTION D-Tetrahydropalmatine is a organic cation transporter 1 (OCT1) inhibitor, it can obviously inhibit the uptake of monocrotaline (MCT) in MDCK-hOCT1 cells and isolate rat primary hepatocytes, and attenuate the viability reduction and LDH release of the primary cultured rat hepatocytes caused by MCT. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
8
Cayman Chemical Bioactives
20535
ChEMBL Drugs
CHEMBL487182
Drug Repurposing Hub
DrugBank
DB12093
MedChem Express Bioactive Compound Library
HY-N0096
ReFrame library
Selleckchem Bioactive Compound Library
rotundine
TargetMol Bioactive Compound Library
T4S0779
T6648
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
355.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
2
cLogP
3.38
TPSA
40.16
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
6.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
5-HT Receptor
5-HT1A
D1
D2
D3
dopamine
DRD1, DRD2, DRD3, HTR1A
Dopamine Receptor
Indication
anxiety, sedative
MOA
serotonin receptor agonist
Pathway
GPCR/G protein
Neuronal Signaling
Neuroscience
Source data