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Compound Detail

CHEMBL3301606

SOLCITINIB
🧪 Phase II
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🧪 Phase II
CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3301606
Name SOLCITINIB
Phase Phase II
Structure Type MOL
InChI Key MPYACSQFXVMWNO-UHFFFAOYSA-N

Known Names

G-154578 G154578 Glpg-0778 GLPG-0788 GLPG0778 Gsk-2586184 GSK-2586184A GSK2586184A Solcitinib
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
9
Known Names
3
Indications
1
Mechanisms

Molecular Properties

389.5
MW (Da)
3.23
ALogP
5
HBA
1
HBD
79.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib
USAN Year 2014

Extended Properties

Molecular Formula C22H23N5O2
MW 389.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.49

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase JAK1 inhibitor INHIBITOR Tyrosine-protein kinase JAK1 ✓ ✓

Indications

Lupus Erythematosus, Systemic Psoriasis Colitis, Ulcerative

Activity Summary

IC50 10 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK1
CHEMBL2835
 IC50 8.18 8.1233 6.6 3
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 7.17 6.8867 67.0 3
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 IC50 6.66 6.655 219.0 2
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 6.39 6.33 408.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK1 IC50 = 6.6 nM 8.18 Inhibition Assay: Recombinant human JAK1 (catalytic domain, amino acids 866-1154... -
Tyrosine-protein kinase JAK1 IC50 = 6.6 nM 8.18 JAK1 Inhibition Assay: Recombinant human JAK1 (catalytic domain, amino acids 866... -
Tyrosine-protein kinase JAK1 IC50 = 9.8 nM 8.01 Inhibition of JAK1 (unknown origin) 32120325
Tyrosine-protein kinase JAK2 IC50 = 67.0 nM 7.17 JAK2 Inhibition Assay: Recombinant human JAK2 (catalytic domain, amino acids 866... -
Tyrosine-protein kinase JAK2 IC50 = 107.8 nM 6.97 Inhibition of JAK2 (unknown origin) 32120325
Non-receptor tyrosine-protein kinase TYK2 IC50 = 219.0 nM 6.66 TYK2 Inhibition Assay: Recombinant human TYK2 catalytic domain (amino acids 871-... -
Non-receptor tyrosine-protein kinase TYK2 IC50 = 225.0 nM 6.65 Inhibition of TYK2 (unknown origin) 32120325
Tyrosine-protein kinase JAK2 IC50 = 300.0 nM 6.52 JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... -
Tyrosine-protein kinase JAK3 IC50 = 408.0 nM 6.39 JAK3 Inhibition Assay: Recombinant human JAK3 catalytic domain (amino acids 781-... -
Tyrosine-protein kinase JAK3 IC50 = 539.0 nM 6.27 Inhibition of JAK3 (unknown origin) 32120325

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
32120325 10.1016/j.ejmech.2020.112155 Unchecked 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
32120325 10.1016/j.ejmech.2020.112155 Tyrosine-protein kinase JAK2 1
32120325 10.1016/j.ejmech.2020.112155 Tyrosine-protein kinase JAK3 1
32120325 10.1016/j.ejmech.2020.112155 Tyrosine-protein kinase JAK1 1
32120325 10.1016/j.ejmech.2020.112155 Non-receptor tyrosine-protein kinase TYK2 1

Data from ChEMBL 36 via Core Engine