General
Preferred name
ETHOHEPTAZINE
Synonyms
Ethoheptazine hcl ()
Etoheptazina ()
ETHOHEPTAZINE CITRATE ()
P&D ID
PD009073
CAS
77-15-6
2085-42-9
38423-94-8
6700-56-7
Tags
available
drug candidate
drug
Drug Status
approved
withdrawn
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 ]]
Compound Sets
9
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
NPC Screening Collection
ReFrame library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
261.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
2.6
TPSA
29.54
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
7.0
QED
0.78
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
N
Toxicity type
NULL
Source data
