Compound Detail
CHEMBL3917014
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CC(=O)NC(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)NC(CCCNC(=O)c1cccc(I)c1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3917014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHZHFAULLMSCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
680.4
MW (Da)
1.75
ALogP
5
HBA
6
HBD
187.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 9 CHEMBL6117 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 9 | IC50 | = | 900.0 | nM | 6.05 | Enzyme Kinetic Assay: PTP activity was assayed using p-nitrophenyl phosphate (pN... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 7800.0 | nM | 5.11 | Enzyme Kinetic Assay: PTP activity was assayed using p-nitrophenyl phosphate (pN... | - |
Data from ChEMBL 36 via Core Engine