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Compound Detail

CHEMBL3137308

PEFICITINIB
💊 Approved Drug
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💊 Approved Drug
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2CC3C[C@H]1C[C@@](O)(C3)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3137308
Name PEFICITINIB
Phase Approved
Structure Type MOL
InChI Key DREIJXJRTLTGJC-ZLBJMMTISA-N
Therapeutic ✓ Yes

Known Names

Asp-015k ASP015K JNJ-54781532 Peficitinib
4
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
5
Indications
1
Mechanisms

Molecular Properties

326.4
MW (Da)
2.01
ALogP
4
HBA
4
HBD
104.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2019
Availability Unknown
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -tinib
USAN Year 2013

Extended Properties

Molecular Formula C18H22N4O2
MW 326.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.26

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Janus Kinase (JAK) inhibitor INHIBITOR Janus Kinase (JAK) ✓ ✓

Indications

Arthritis, Rheumatoid Colitis, Ulcerative Psoriasis Kidney Diseases Liver Diseases

ATC Classification

L04AF06
peficitinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS

Activity Summary

IC50 20 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 9.15 8.86 0.7 5
Tyrosine-protein kinase JAK1
CHEMBL2835
 IC50 8.41 8.19 3.9 5
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 IC50 8.32 8.028 4.8 5
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 8.3 8.09 5.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK3 IC50 = 0.7 nM 9.15 Inhibition of JAK3 (unknown origin) 33481605
Tyrosine-protein kinase JAK3 IC50 = 0.7 nM 9.15 Inhibition of human JAK3 using Biotin-Lyn-Substrate-2 as substrate assessed as r... 35749986
Tyrosine-protein kinase JAK3 IC50 = 0.7 nM 9.15 Inhibition of human JAK3 using Biotin-Lyn-Substrate-2 as substrate incubated for... 38359535
Tyrosine-protein kinase JAK3 IC50 = 0.71 nM 9.15 Inhibition of JAK3 (unknown origin) 26351728
Tyrosine-protein kinase JAK1 IC50 = 3.9 nM 8.41 Inhibition of JAK1 (unknown origin) 26351728
Tyrosine-protein kinase JAK1 IC50 = 3.9 nM 8.41 Inhibition of JAK1 (unknown origin) 33481605
Tyrosine-protein kinase JAK1 IC50 = 3.9 nM 8.41 Inhibition of human JAK1 using Biotin-Lyn-Substrate-2 as substrate assessed as r... 35749986
Tyrosine-protein kinase JAK1 IC50 = 3.9 nM 8.41 Inhibition of human JAK1 using Biotin-Lyn-Substrate-2 as substrate incubated for... 38359535
Non-receptor tyrosine-protein kinase TYK2 IC50 = 4.8 nM 8.32 Inhibition of human TYK2 using Biotin-IRS1-Substrate as substrate assessed as re... 35749986
Non-receptor tyrosine-protein kinase TYK2 IC50 = 4.8 nM 8.32 Inhibition of human TYK2 using Biotin-IRS1-substrate as substrate incubated for ... 38359535
Non-receptor tyrosine-protein kinase TYK2 IC50 = 4.8 nM 8.32 Inhibition of TYK2 (unknown origin) 33481605
Non-receptor tyrosine-protein kinase TYK2 IC50 = 4.8 nM 8.32 Inhibition of Tyk2 (unknown origin) 26351728
Tyrosine-protein kinase JAK2 IC50 = 5.0 nM 8.3 Inhibition of JAK2 (unknown origin) 26351728
Tyrosine-protein kinase JAK2 IC50 = 5.0 nM 8.3 Inhibition of JAK2 (unknown origin) 33481605
Tyrosine-protein kinase JAK2 IC50 = 5.0 nM 8.3 Inhibition of human JAK2 using Biotin-Lyn-Substrate-2 as substrate assessed as r... 35749986
Tyrosine-protein kinase JAK2 IC50 = 5.0 nM 8.3 Inhibition of human JAK2 using Biotin-Lyn-Substrate-2 as substrate incubated for... 38359535
Tyrosine-protein kinase JAK3 IC50 = 20.1 nM 7.7 Inhibition of JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1... 38359535
Tyrosine-protein kinase JAK1 IC50 = 49.1 nM 7.31 Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... 38359535
Tyrosine-protein kinase JAK2 IC50 = 56.4 nM 7.25 Inhibition of JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1... 38359535
Non-receptor tyrosine-protein kinase TYK2 IC50 = 137.0 nM 6.86 Inhibition of TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1... 38359535

Literature References

PubMed DOI Target Context # Activities
38359535 10.1016/j.ejmech.2024.116210 Unchecked 6
26351728 10.1021/acs.jmedchem.5b01263 Unchecked 3
38359535 10.1016/j.ejmech.2024.116210 Non-receptor tyrosine-protein kinase TYK2 2
38359535 10.1016/j.ejmech.2024.116210 Tyrosine-protein kinase JAK3 2
38359535 10.1016/j.ejmech.2024.116210 Tyrosine-protein kinase JAK2 2
38359535 10.1016/j.ejmech.2024.116210 Tyrosine-protein kinase JAK1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
33481605 10.1021/acs.jmedchem.0c01511 Tyrosine-protein kinase JAK3 1
35749986 10.1016/j.ejmech.2022.114551 Non-receptor tyrosine-protein kinase TYK2 1
35749986 10.1016/j.ejmech.2022.114551 Tyrosine-protein kinase JAK3 1
35749986 10.1016/j.ejmech.2022.114551 Tyrosine-protein kinase JAK2 1
35749986 10.1016/j.ejmech.2022.114551 Tyrosine-protein kinase JAK1 1
33481605 10.1021/acs.jmedchem.0c01511 Non-receptor tyrosine-protein kinase TYK2 1
33481605 10.1021/acs.jmedchem.0c01511 Tyrosine-protein kinase JAK2 1
33481605 10.1021/acs.jmedchem.0c01511 Tyrosine-protein kinase JAK1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
26351728 10.1021/acs.jmedchem.5b01263 Tyrosine-protein kinase JAK1 1
26351728 10.1021/acs.jmedchem.5b01263 Tyrosine-protein kinase JAK2 1
26351728 10.1021/acs.jmedchem.5b01263 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine