amcinonide   Click here for help

GtoPdb Ligand ID: 7060

Synonyms: CL-34699 | Cyclocort®
Approved drug Immunopharmacology Ligand
amcinonide is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: A topically applied corticosteroid.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 99.13
Molecular weight 502.24
XLogP 2.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES CC(=O)OCC(=O)C12OC3(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)CCCC3
Isomeric SMILES CC(=O)OCC(=O)[C@@]12OC3(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)CCCC3
InChI InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1
InChI Key ILKJAFIWWBXGDU-MOGDOJJUSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
International Nonproprietary Names Click here for help
INN number INN
3755 amcinonide
Synonyms Click here for help
CL-34699 | Cyclocort®
Database Links Click here for help
CAS Registry No. 51022-69-6
ChEMBL Ligand CHEMBL1200732
DrugBank Ligand DB00288
DrugCentral Ligand 150
GtoPdb PubChem SID 178103639
PubChem CID 443958
Search Google for chemical match using the InChIKey ILKJAFIWWBXGDU-MOGDOJJUSA-N
Search Google for chemicals with the same backbone ILKJAFIWWBXGDU
Search PubMed clinical trials amcinonide
Search PubMed titles amcinonide
Search PubMed titles/abstracts amcinonide
UniChem Compound Search for chemical match using the InChIKey ILKJAFIWWBXGDU-MOGDOJJUSA-N
UniChem Connectivity Search for chemical match using the InChIKey ILKJAFIWWBXGDU-MOGDOJJUSA-N
Wikipedia amcinonide