Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5948963

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
CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)[C@@H](C(=O)N3CC(N5CCCCC5)C3)C4)n[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5948963
Phase Preclinical
Structure Type MOL
InChI Key CQVLTKQROAIZOC-MUUNZHRXSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

571.7
MW (Da)
4.47
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38FN7O2
MW 571.70
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.66

Activity Summary

Ki 8 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 Ki 10.52 10.52 0.0 2
Tyrosine-protein kinase JAK1
CHEMBL2835
 Ki 10.1 10.1 0.1 2
Tyrosine-protein kinase JAK3
CHEMBL2148
 Ki 9.4 9.4 0.4 2
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 Ki 9.4 9.4 0.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 Ki = 0.03 nM 10.52 Biochemical JAK Kinase Assays: A panel of four LanthaScreen JAK biochemical assa... -
Tyrosine-protein kinase JAK2 Ki = 0.03 nM 10.52 Biochemical Kinase Assay: A panel of four LanthaScreen JAK biochemical assays (J... -
Tyrosine-protein kinase JAK1 Ki = 0.08 nM 10.1 Biochemical JAK Kinase Assays: A panel of four LanthaScreen JAK biochemical assa... -
Tyrosine-protein kinase JAK1 Ki = 0.08 nM 10.1 Biochemical Kinase Assay: A panel of four LanthaScreen JAK biochemical assays (J... -
Tyrosine-protein kinase JAK3 Ki = 0.4 nM 9.4 Biochemical JAK Kinase Assays: A panel of four LanthaScreen JAK biochemical assa... -
Non-receptor tyrosine-protein kinase TYK2 Ki = 0.4 nM 9.4 Biochemical JAK Kinase Assays: A panel of four LanthaScreen JAK biochemical assa... -
Tyrosine-protein kinase JAK3 Ki = 0.4 nM 9.4 Biochemical Kinase Assay: A panel of four LanthaScreen JAK biochemical assays (J... -
Non-receptor tyrosine-protein kinase TYK2 Ki = 0.4 nM 9.4 Biochemical Kinase Assay: A panel of four LanthaScreen JAK biochemical assays (J... -

Data from ChEMBL 36 via Core Engine