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Compound Detail

CHEMBL4447181

LONDAMOCITINIB
🧪 Phase II
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🧪 Phase II
COC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3F)c[nH]c12)N1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447181
Name LONDAMOCITINIB
Phase Phase II
Structure Type MOL
InChI Key JNUZADQZHYFJGW-JOCHJYFZSA-N

Known Names

AZD-4604 Azd4604 Londamocitinib
4
Targets
10
Activities
1
Assay Types
6
PK Parameters
8
Publications
3
Known Names

Molecular Properties

599.7
MW (Da)
3.25
ALogP
9
HBA
3
HBD
132.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tinib

Extended Properties

Molecular Formula C28H31F2N7O4S
MW 599.66
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.21

Activity Summary

IC50 10 meas. best 9.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK1
CHEMBL2835
 IC50 9.27 9.27 0.5 1
Unchecked
CHEMBL612545
 IC50 7.7 7.604 20.0 5
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 IC50 6.18 6.18 657.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.16 5.9933 686.0 3

Pharmacokinetic Data

Parameter Value Units Species
AUC 5157.08 ng.hr.mL-1 Rattus norvegicus
CL 25.0 mL.min-1.g-1 Homo sapiens
CL 33.0 mL.min-1.kg-1 Rattus norvegicus
F 44.0 % Rattus norvegicus
Fu 0.08 - Homo sapiens
T1/2 4.7 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK1 IC50 = 0.54 nM 9.27 Inhibition of GST-tagged human recombinant JAK1 (866 to 1154 residues) expressed... 37738648
Unchecked IC50 = 20.0 nM 7.7 Inhibition of JAK/STAT signaling pathway in human CD14-positive cell monocytes i... 37738648
Unchecked IC50 = 21.0 nM 7.68 Inhibition of JAK/STAT signaling pathway in human CD4+ T cell assessed as inhibi... 37738648
Unchecked IC50 = 24.0 nM 7.62 Inhibition of JAK/STAT signaling pathway in human U-937 cells assessed as inhibi... 37738648
Unchecked IC50 = 28.0 nM 7.55 Inhibition of JAK/STAT signaling pathway in human CD14-positive cell monocytes i... 37738648
Unchecked IC50 = 34.0 nM 7.47 Inhibition of JAK/STAT signaling pathway in human U-937 cells assessed as inhibi... 37738648
Non-receptor tyrosine-protein kinase TYK2 IC50 = 657.0 nM 6.18 Inhibition of GST-tagged human recombinant TYK2 (833 to 1187 residues) expressed... 37738648
Tyrosine-protein kinase JAK2 IC50 = 686.0 nM 6.16 Inhibition of GST-tagged human recombinant JAK2 (809 to 1153 residues) expressed... 37738648
Tyrosine-protein kinase JAK2 IC50 = 1221.0 nM 5.91 Inhibition of N-terminal GST-tagged human recombinant JAK2 (831 to 1132 residues... 37738648
Tyrosine-protein kinase JAK2 IC50 = 1220.0 nM 5.91 Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... -

Literature References

PubMed DOI Target Context # Activities
37738648 10.1021/acs.jmedchem.3c00554 ADMET 18
37738648 10.1021/acs.jmedchem.3c00554 Unchecked 14
37738648 10.1021/acs.jmedchem.3c00554 Tyrosine-protein kinase JAK1 11
37738648 10.1021/acs.jmedchem.3c00554 No relevant target 3
31522830 10.1016/j.bmcl.2019.126658 Rattus norvegicus 2
37738648 10.1021/acs.jmedchem.3c00554 Tyrosine-protein kinase JAK2 2
37738648 10.1021/acs.jmedchem.3c00554 Tyrosine-protein kinase JAK3 2
37738648 10.1021/acs.jmedchem.3c00554 Non-receptor tyrosine-protein kinase TYK2 1

Data from ChEMBL 36 via Core Engine