BECLOMETHASONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KGZ1SLC28Z

Structure
InChI Key NBMKJKDGKREAPL-DVTGEIKXSA-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)CO
InChI
InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29ClO5
Molecular Weight 408.92
AlogP 2.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 10300-23670 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3001
ChEMBL CHEMBL1586
EPA CompTox DTXSID5040750
FDA SRS KGZ1SLC28Z
Guide to Pharmacology 7059
KEGG C06842
PDB GXR
PharmGKB PA448547
SureChEMBL SCHEMBL3183
ZINC ZINC000004097285
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