Compound Detail
CHEMBL316034
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Basic Information
| ChEMBL ID | CHEMBL316034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJIVRKPEXXHNJT-UHFFFAOYSA-N |
26
Targets
88
Activities
3
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
167.1
MW (Da)
0.48
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 71 meas. best 7.72
Ki 16 meas. best 8.66
Kd 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | Ki | 8.66 | 6.775 | 2.2 | 2 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 7.72 | 5.8458 | 19.0 | 12 |
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 7.7 | 7.48 | 20.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.96 | 5.498 | 110.0 | 10 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 6.52 | 5.6425 | 300.0 | 4 |
| Egl nine homolog 1 CHEMBL5697 | Kd | 6.38 | 6.38 | 420.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 CHEMBL4523396 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 6.16 | 5.64 | 700.0 | 3 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 6.12 | 5.1433 | 760.0 | 3 |
| Methylcytosine dioxygenase TET3 CHEMBL4879414 | IC50 | 6.11 | 6.11 | 776.2 | 1 |
| Hypoxia-inducible factor 1-alpha inhibitor CHEMBL5909 | IC50 | 5.96 | 5.515 | 1100.0 | 2 |
| Prolyl hydroxylase EGLN2 CHEMBL3028 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Methylcytosine dioxygenase TET1 CHEMBL4523402 | IC50 | 5.77 | 5.77 | 1698.2 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 5.7 | 4.85 | 2000.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.0875 | 2000.0 | 4 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.7 | 5.3225 | 2000.0 | 4 |
| Lysine-specific demethylase 4D CHEMBL6138 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 5.57 | 5.53 | 2700.0 | 5 |
| Prolyl 4-hydroxylase CHEMBL4523368 | Ki | 5.48 | 5.48 | 3280.0 | 1 |
| Lysine-specific demethylase 3A CHEMBL1938209 | IC50 | 5.48 | 5.29 | 3300.0 | 2 |
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 5.4 | 5.2675 | 3981.1 | 4 |
| Beta-lactamase CHEMBL3885662 | Ki | 5.35 | 4.86 | 4500.0 | 3 |
| Methylcytosine dioxygenase TET2 CHEMBL4523344 | IC50 | 5.29 | 5.29 | 5128.6 | 1 |
| Prolyl 4-hydroxylase CHEMBL4523368 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Prolyl hydroxylase EGLN3 CHEMBL5705 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Prolyl hydroxylase EGLN2 CHEMBL3028 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| RNA demethylase ALKBH5 CHEMBL3621037 | IC50 | 5.03 | 5.03 | 9430.0 | 1 |
| Lysine-specific demethylase 7A CHEMBL2163177 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Gamma-butyrobetaine dioxygenase CHEMBL2163175 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 12.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine