EDICOTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3NU609VYNF

Structure
InChI Key BNVPFDRNGHMRJS-UHFFFAOYSA-N
Smile CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
InChI
InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H35N5O2
Molecular Weight 461.61
AlogP 5.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 103.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Macrophage colony stimulating factor receptor inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 3 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3674570
DrugBank DB12504
FDA SRS 3NU609VYNF
Guide to Pharmacology 8942
PubChem 25230468
SureChEMBL SCHEMBL4238665
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