General
Preferred name
HYDRASTINE
Synonyms
HYDRASTINE (1R, 9S) ()
(-)-¦Â-Hydrastine ()
(1R,9S)-¦Â-Hydrastine ()
(-)-??Hydrastine ()
(1R,9S)-??Hydrastine ()
HYDRASTINE HYDROCHLORIDE ()
(-)-β-Hydrastine ()
(1R,9S)-β-Hydrastine ()
(-)-¦Â-Hydrastine, (1R,9S)-¦Â-Hydrastine ()
NSC-757430 ()
Hydrastine hcl ()
(1R,9S)-(–)-?-Hydrastine ()
P&D ID
PD001632
CAS
118-08-1
5936-28-7
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 ]]
Cell lines
0
Organisms
1
Compound Sets
8
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
383.14
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
2
cLogP
2.87
TPSA
66.46
Fraction CSP3
0.38
Chiral centers
2.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Tyrosine hydroxylase inhibitor
Target
PAK
Source data
