Compound Detail
CHEMBL3644587
2X-121 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3644587 |
| Name | 2X-121 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JLFSBHQQXIAQEC-UHFFFAOYSA-N |
9
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
3
Indications
3
Mechanisms
Molecular Properties
317.4
MW (Da)
2.39
ALogP
5
HBA
2
HBD
73.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Poly [ADP-ribose] polymerase-1 inhibitor | INHIBITOR | Poly [ADP-ribose] polymerase 1 | ✓ | ✓ |
| Poly [ADP-ribose] polymerase 2 inhibitor | INHIBITOR | Poly [ADP-ribose] polymerase 2 | ✓ | ✓ |
| Tankyrase 1/2 inhibitor | INHIBITOR | Tankyrase 1/2 | ✓ | ✓ |
Indications
Ovarian Neoplasms Breast Neoplasms Neoplasms
Activity Summary
IC50 20 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL2794 | IC50 | 9.0 | 8.96 | 1.0 | 2 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 9.0 | 8.72 | 1.0 | 6 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 9.0 | 8.85 | 1.0 | 2 |
| Tankyrase 1/2 CHEMBL3038515 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 7.3 | 7.1733 | 50.0 | 3 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 7.3 | 7.3 | 50.0 | 3 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.54 | 5.54 | 2890.0 | 1 |
| MDA-MB-468 CHEMBL614335 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.17 | 5.17 | 6710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine