Compound Detail
CHEMBL315693
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Basic Information
| ChEMBL ID | CHEMBL315693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUMBBIMTFYKAJM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
600.3
MW (Da)
2.82
ALogP
11
HBA
2
HBD
152.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 8.77 | 8.705 | 1.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 62.0 | hr | Sus scrofa |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 1.7 | nM | 8.77 | Compound was evaluated for its effective concentration (potency) to inhibit the ... | 10498207 |
| CCRF-CEM | EC50 | = | 2.3 | nM | 8.64 | Compound was evaluated for its effective concentration (potency) to inhibit the ... | 10498207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498207 | 10.1016/s0960-894x(99)00416-3 | CCRF-CEM | 3 |
| 10498207 | 10.1016/s0960-894x(99)00416-3 | Unchecked | 2 |
| 10498207 | 10.1016/s0960-894x(99)00416-3 | No relevant target | 1 |
| 10498207 | 10.1016/s0960-894x(99)00416-3 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine