AFIMETORAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LXP7MZL0VF

Structure
InChI Key SNFVHLQYHFQOEP-UHFFFAOYSA-N
Smile Cc1c(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)cn2ncnc2c1C
InChI
InChI=1S/C26H32N6O/c1-15(2)24-20-11-19(18-7-9-31(10-8-18)13-23(27)33)5-6-22(20)30-25(24)21-12-32-26(28-14-29-32)17(4)16(21)3/h5-6,11-12,14-15,18,30H,7-10,13H2,1-4H3,(H2,27,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32N6O
Molecular Weight 444.58
AlogP 4.28
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 92.31
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Toll-like receptor 7 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
- 1.4-1.4 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lupus Erythematosus, Cutaneous 1 D008178 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650329
DrugBank DB16580
FDA SRS LXP7MZL0VF
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