Compound Detail
CHEMBL1092943
PLATENCIN Enter ChEMBL ID:
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C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1CC3
Basic Information
| ChEMBL ID | CHEMBL1092943 |
| Name | PLATENCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWUHGPPFFABTIY-RLWZQHMASA-N |
3
Targets
11
Activities
2
Assay Types
9
PK Parameters
20
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.02
ALogP
5
HBA
4
HBD
123.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.95
Kd 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.76 | 7.76 | 17.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.95 | 5.5613 | 113.0 | 8 |
| 3-oxoacyl-[acyl-carrier-protein] synthase 2 CHEMBL5341 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2893.26 | ng.hr.mL-1 | Mus musculus |
| AUC | 978.6 | ng.hr.mL-1 | Mus musculus |
| CL | 23.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 11000.0 | nM | Mus musculus |
| Cmax | 4000.0 | nM | Mus musculus |
| F | 10.0 | % | Mus musculus |
| T1/2 | 0.22 | hr | Mus musculus |
| T1/2 | 1.3 | hr | Mus musculus |
| Vd | 0.46 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine