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Compound Detail

CHEMBL4577523

GOLIDOCITINIB
🧪 Phase II
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🧪 Phase II
COc1nn(C)cc1Nc1nccc(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577523
Name GOLIDOCITINIB
Phase Phase II
Structure Type MOL
InChI Key CVCVOSPZEVINRM-MRXNPFEDSA-N

Known Names

AZD-4205 Azd4205 AZD4205 free base Golidocitinib
4
Targets
11
Activities
1
Assay Types
12
PK Parameters
16
Publications
4
Known Names
4
Indications
1
Mechanisms

Molecular Properties

489.6
MW (Da)
2.69
ALogP
9
HBA
3
HBD
116.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tinib
USAN Year 2022

Extended Properties

Molecular Formula C25H31N9O2
MW 489.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.54

Mechanism of Action

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

Indications

Carcinoma, Non-Small-Cell Lung Lymphoma, T-Cell, Peripheral Autoimmune Diseases Neoplasms

Activity Summary

IC50 11 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK1
CHEMBL2835
 IC50 7.16 7.1113 70.0 8
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 IC50 5.55 5.55 2800.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 4.83 4.83 14700.0 1
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 4.52 4.52 30000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 587.5 ng.hr.mL-1 Rattus norvegicus
AUC 832.29 ng.hr.mL-1 Rattus norvegicus
AUC 1517.7 ng.hr.mL-1 Canis lupus familiaris
AUC 2594.77 ng.hr.mL-1 Canis lupus familiaris
CL 20.0 mL.min-1.kg-1 Rattus norvegicus
CL 9.0 mL.min-1.kg-1 Canis lupus familiaris
F 100.0 % Rattus norvegicus
F 71.0 % Canis lupus familiaris
T1/2 6.0 hr Rattus norvegicus
T1/2 7.0 hr Rattus norvegicus
T1/2 6.3 hr Canis lupus familiaris
T1/2 9.0 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK1 IC50 = 70.0 nM 7.16 Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues... 32297743
Tyrosine-protein kinase JAK1 IC50 = 73.0 nM 7.14 Inhibition of JAK 1 (unknown origin) 33539089
Tyrosine-protein kinase JAK1 IC50 = 73.0 nM 7.14 Inhibition of JAK1 (unknown origin) 37793326
Tyrosine-protein kinase JAK1 IC50 = 73.0 nM 7.14 JAK Enzymatic Assay: Enzyme inhibition studies were performed using recombinant ... -
Tyrosine-protein kinase JAK1 IC50 = 73.0 nM 7.14 Enzyme Inhibition Studies: Enzyme inhibition studies were performed using recomb... -
Tyrosine-protein kinase JAK1 IC50 = 73.0 nM 7.14 Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... -
Tyrosine-protein kinase JAK1 IC50 = 73.0 nM 7.14 Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... -
Tyrosine-protein kinase JAK1 IC50 = 130.0 nM 6.89 Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosph... 32297743
Non-receptor tyrosine-protein kinase TYK2 IC50 = 2800.0 nM 5.55 Inhibition of TYK2 (unknown origin) 32297743
Tyrosine-protein kinase JAK2 IC50 = 14700.0 nM 4.83 Inhibition of JAK2 (unknown origin) 37793326
Tyrosine-protein kinase JAK3 IC50 = 30000.0 nM 4.52 Inhibition of JAK3 (unknown origin) 37793326

Literature References

PubMed DOI Target Context # Activities
32297743 10.1021/acs.jmedchem.9b01392 ADMET 21
32297743 10.1021/acs.jmedchem.9b01392 No relevant target 3
32297743 10.1021/acs.jmedchem.9b01392 Mus musculus 3
32297743 10.1021/acs.jmedchem.9b01392 Tyrosine-protein kinase JAK1 2
32297743 10.1021/acs.jmedchem.9b01392 NCI-H1975 2
32297743 10.1021/acs.jmedchem.9b01392 Tyrosine-protein kinase JAK2 1
32297743 10.1021/acs.jmedchem.9b01392 Unchecked 1
32297743 10.1021/acs.jmedchem.9b01392 Voltage-gated inwardly rectifying potassium channel KCNH2 1
32297743 10.1021/acs.jmedchem.9b01392 Tyrosine-protein kinase JAK3 1
32297743 10.1021/acs.jmedchem.9b01392 Non-receptor tyrosine-protein kinase TYK2 1
32297743 10.1021/acs.jmedchem.9b01392 Vascular endothelial growth factor receptor 3 1
32297743 10.1021/acs.jmedchem.9b01392 Cytochrome P450 1
33539089 10.1021/acs.jmedchem.0c01467 Tyrosine-protein kinase JAK1 1
37793326 10.1016/j.ejmech.2023.115848 Tyrosine-protein kinase JAK1 1
37793326 10.1016/j.ejmech.2023.115848 Tyrosine-protein kinase JAK2 1
37793326 10.1016/j.ejmech.2023.115848 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine