Compound Detail
CHEMBL130880
IPIDACRINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL130880 |
| Name | IPIDACRINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YLUSMKAJIQOXPV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
18
Publications
2
Known Names
1
Indications
Molecular Properties
188.3
MW (Da)
2.03
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Dementia
ATC Classification
N06DA05
ipidacrine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.18 | 6.18 | 658.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 3.23 | 3.23 | 590000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of equine serum BChE pre-incubated for 5 mins before butyrylthiocholi... | 26212777 |
| Acetylcholinesterase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before acet... | 26212777 |
| Acetylcholinesterase | IC50 | = | 658.0 | nM | 6.18 | In vitro inhibition of acetylcholinesterase isolated from human erythrocytes. | - |
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 590000.0 | nM | 3.23 | Inhibition of biotinylated-H3K4me2 binding to N-terminal His9 tagged human BPTF ... | 37849548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 37849548 | 10.1021/acsmedchemlett.3c00343 | Nucleosome-remodeling factor subunit BPTF | 3 |
| 26212777 | 10.1016/j.bmcl.2015.07.026 | Cholinesterase | 2 |
| 26212777 | 10.1016/j.bmcl.2015.07.026 | Acetylcholinesterase | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| 37849548 | 10.1021/acsmedchemlett.3c00343 | Lysine-specific demethylase 5A | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.1016/S0960-894X(00)80267-X | ADMET | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1016/S0960-894X(00)80267-X | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine