Compound Detail
CHEMBL4649041
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Basic Information
| ChEMBL ID | CHEMBL4649041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJNIRUHGOPLXSD-XLRIHDRJSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
4.19
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 883.0 | mL.min-1.g-1 | Mus musculus |
| CL | 175.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 480.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 133.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | EC50 | = | 7.0 | nM | 8.15 | Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expr... | 32551003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551003 | 10.1021/acsmedchemlett.0c00060 | ADMET | 4 |
| 32551003 | 10.1021/acsmedchemlett.0c00060 | Lysine-specific histone demethylase 1A | 2 |
| 32551003 | 10.1021/acsmedchemlett.0c00060 | Kasumi 1 | 1 |
Data from ChEMBL 36 via Core Engine