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Compound Detail

CHEMBL3674570

EDICOTINIB
🧪 Phase II
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🧪 Phase II
CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3674570
Name EDICOTINIB
Phase Phase II
Structure Type MOL
InChI Key BNVPFDRNGHMRJS-UHFFFAOYSA-N

Known Names

Edicotinib Jnj-40346527
5
Targets
24
Activities
1
Assay Types
1
PK Parameters
13
Publications
2
Known Names
3
Indications
1
Mechanisms

Molecular Properties

461.6
MW (Da)
5.97
ALogP
5
HBA
2
HBD
103.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -tinib
USAN Year 2018

Extended Properties

Molecular Formula C27H35N5O2
MW 461.61
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.10

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Macrophage colony stimulating factor receptor inhibitor INHIBITOR Macrophage colony-stimulating factor 1 receptor ✓ ✓

Indications

Arthritis, Rheumatoid Leukemia, Myeloid, Acute Prostatic Neoplasms

Activity Summary

IC50 24 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
 IC50 8.54 7.6767 2.9 3
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.49 7.8518 3.2 11
Unchecked
CHEMBL612545
 IC50 7.96 7.88 11.0 6
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 7.7 7.7 20.0 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 6.72 6.72 190.0 2

Pharmacokinetic Data

Parameter Value Units Species
Tmax 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 2.9 nM 8.54 Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescenc... -
Macrophage colony-stimulating factor 1 receptor IC50 = 3.2 nM 8.49 Inhibition of CSF1R (unknown origin) 29293000
Macrophage colony-stimulating factor 1 receptor IC50 = 3.2 nM 8.49 Inhibition of CSF1R (unknown origin) (538 to 972 residues) expressed in baculovi... 33689933
Macrophage colony-stimulating factor 1 receptor IC50 = 3.2 nM 8.49 Inhibition of human CSF1R using pEY as substrate incubated for 40 mins in presen... 38401188
Macrophage colony-stimulating factor 1 receptor IC50 = 3.2 nM 8.49 Inhibition of CSF1-induced CSF1R signalling in mouse BMDM cells assessed as redu... 37708796
Macrophage colony-stimulating factor 1 receptor IC50 = 10.0 nM 8.0 c-Fms Enzyme Assay: In this assay, recombinant human, dog or rat c-fms catalyzed... -
Macrophage colony-stimulating factor 1 receptor IC50 = 10.0 nM 8.0 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Macrophage colony-stimulating factor 1 receptor IC50 = 10.0 nM 8.0 Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format): In this... -
Unchecked IC50 = 11.0 nM 7.96 c-Fms Enzyme Assay: In this assay, recombinant human, dog or rat c-fms catalyzed... -
Unchecked IC50 = 11.0 nM 7.96 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Unchecked IC50 = 11.0 nM 7.96 Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format): In this... -
Unchecked IC50 = 16.0 nM 7.8 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Unchecked IC50 = 16.0 nM 7.8 Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format): In this... -
Unchecked IC50 = 16.0 nM 7.8 c-Fms Enzyme Assay: In this assay, recombinant human, dog or rat c-fms catalyzed... -
Macrophage colony-stimulating factor 1 receptor IC50 = 18.0 nM 7.75 Human c-Fms Protein Kinase Assay (gamma-33P-ATP Format): c-fms(h) was incubated ... -
Macrophage colony-stimulating factor 1 receptor IC50 = 18.0 nM 7.75 Kinase Assay: c-fms(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM ... -
Macrophage colony-stimulating factor 1 receptor IC50 = 18.0 nM 7.75 Human c-fms Protein Kinase Assay: c-fms(h) was incubated with 8 mM MOPS pH 7.0, ... -
Macrophage colony-stimulating factor 1 receptor IC50 = 18.0 nM 7.75 Human c-Fms Protein Kinase Assay (gamma-33P-ATP Format): c-fms(h) was incubated ... -
Mast/stem cell growth factor receptor Kit IC50 = 20.0 nM 7.7 Inhibition of c-KIT (unknown origin) using TK as substrate incubated for 50 mins... 36335744
Mast/stem cell growth factor receptor Kit IC50 = 20.0 nM 7.7 Inhibition of KIT (unknown origin) 37708796

Literature References

PubMed DOI Target Context # Activities
38401188 10.1016/j.ejmech.2024.116253 Macrophage colony-stimulating factor 1 receptor 4
29293000 10.1021/acs.jmedchem.7b00873 Homo sapiens 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
29293000 10.1021/acs.jmedchem.7b00873 Macrophage colony-stimulating factor 1 receptor 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
33689933 10.1016/j.ejmech.2021.113298 Macrophage colony-stimulating factor 1 receptor 1
- 10.6019/EOS300108 HepG2 1
36335744 10.1016/j.ejmech.2022.114884 Mast/stem cell growth factor receptor Kit 1
36335744 10.1016/j.ejmech.2022.114884 Receptor-type tyrosine-protein kinase FLT3 1
37708796 10.1016/j.ejmech.2023.115796 Receptor-type tyrosine-protein kinase FLT3 1
37708796 10.1016/j.ejmech.2023.115796 Macrophage colony-stimulating factor 1 receptor 1
37708796 10.1016/j.ejmech.2023.115796 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine