Compound Detail
CHEMBL5405014
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Basic Information
| ChEMBL ID | CHEMBL5405014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIDVRNOCXCNWRQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
5.21
ALogP
6
HBA
1
HBD
66.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| NCI-H1417 CHEMBL2366149 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | Mus musculus |
| T1/2 | 0.7 | hr | Rattus norvegicus |
| T1/2 | 0.6167 | hr | Canis lupus familiaris |
| T1/2 | 0.1667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 1.7 | nM | 8.77 | Antiproliferative activity against human MV4-11 cells assessed as cell growth in... | 37849536 |
| NCI-H1417 | IC50 | = | 2.7 | nM | 8.57 | Antiproliferative activity against human NCI-H1417 cells assessed as cell growth... | 37849536 |
| Lysine-specific histone demethylase 1A | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3K4me2... | 37849536 |
| MOLM-13 | IC50 | = | 58.0 | nM | 7.24 | Antiproliferative activity against human MOLM-13 cells assessed as cell growth i... | 37849536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849536 | 10.1021/acsmedchemlett.3c00292 | ADMET | 4 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | Lysine-specific histone demethylase 1A | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | MOLM-13 | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | MV4-11 | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | NCI-H1417 | 1 |
Data from ChEMBL 36 via Core Engine