MOTOLIMOD

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: WP6PY72ZH3

Structure
InChI Key QSPOQCXMGPDIHI-UHFFFAOYSA-N
Smile CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1
InChI
InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H34N4O2
Molecular Weight 458.61
AlogP 5.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 79.0
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Toll-like receptor 8 agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
1300 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Hypopharyngeal Neoplasms 1 D007012 ClinicalTrials
Oropharyngeal Neoplasms 1 D009959 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 1 D000077195 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Tongue Neoplasms 1 D014062 ClinicalTrials
Carcinoma, Verrucous 1 D018289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301618
DrugBank DB12303
EPA CompTox DTXSID10239107
FDA SRS WP6PY72ZH3
Guide to Pharmacology 9026
SureChEMBL SCHEMBL254984
ZINC ZINC000034946588
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