Compound Detail
CHEMBL3228372
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Basic Information
| ChEMBL ID | CHEMBL3228372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFCWZFGAWHUGAC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3303897 |
| Active Moiety | CHEMBL3303897 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
112.2
MW (Da)
1.08
ALogP
1
HBA
1
HBD
27.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indolethylamine N-methyltransferase CHEMBL3227915 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Indolethylamine N-methyltransferase CHEMBL2131 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indolethylamine N-methyltransferase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of New Zealand white rabbit lung INMT using N-methyltryptamine as sub... | 423205 |
| Indolethylamine N-methyltransferase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to ... | 423205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 423205 | 10.1021/jm00189a004 | Indolethylamine N-methyltransferase | 2 |
Data from ChEMBL 36 via Core Engine