MOMETASONE

Search structure
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: D07AC13

Structure
InChI Key QLIIKPVHVRXHRI-CXSFZGCWSA-N
Smile C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
InChI
InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28Cl2O4
Molecular Weight 427.37
AlogP 3.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 7.977
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -7.37-18.33
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 9300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Otitis Media with Effusion 3 D010034 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Sinusitis 1 D012852 ClinicalTrials

Related Entries

MCS

Scaffolds

Parent
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