Compound Detail
CHEMBL5805022
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
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(c2cnc(C(=O)NC3(C(F)(F)F)CC3)cn2)C1
Basic Information
| ChEMBL ID | CHEMBL5805022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJPCTNLISNLSAY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
2.57
ALogP
9
HBA
2
HBD
141.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.6 | 7.6 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 25.0 | nM | 7.6 | In Vitro Assay: Compounds herein were tested for inhibitory activity of JAK targ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 25.0 | nM | 7.6 | In Vitro JAK Kinase Assay: Compounds herein were tested for inhibitory activity ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 25.0 | nM | 7.6 | In Vitro JAK Kinase Assay: The catalytic domains of human JAK1 (a.a. 837-1142), ... | - |
Data from ChEMBL 36 via Core Engine