Compound Detail
CHEMBL5996718
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCc1nc2c(F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
Basic Information
| ChEMBL ID | CHEMBL5996718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWIATKKSLBPZTC-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
3.26
ALogP
10
HBA
1
HBD
104.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 2.0 | nM | 8.7 | Biochemical ATX Assay (Assay A): 5 nM recombinant ATX (Cayman Chemicals) was sup... | - |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Biochemical ATX Assa: 5 nM recombinant ATX (Cayman Chemicals) was supplemented t... | - |
| Autotaxin | IC50 | = | 50.0 | nM | 7.3 | Human ENPP2 (hENPP2) Assay: Compound IC50 values are determined in a hENPP2 (Uni... | - |
| Autotaxin | IC50 | = | 50.0 | nM | 7.3 | In Vitro Assays: Compound IC50 values are determined in a hENPP2 (UniProtKB/Swis... | - |
| Autotaxin | IC50 | = | 50.0 | nM | 7.3 | In Vitro Assay: TABLE V: 5 μL of a dilution series of compound, starting from 20... | - |
| Autotaxin | IC50 | = | 50.0 | nM | 7.3 | Biochemical Assay: TABLE VI: (UniProtKB/SwissProt Sequence ref Q13822) biochemic... | - |
Data from ChEMBL 36 via Core Engine