HALCINONIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D07AD02
UNII: SI86V6QNEG

Structure
InChI Key MUQNGPZZQDCDFT-JNQJZLCISA-N
Smile CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
InChI
InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32ClFO5
Molecular Weight 454.97
AlogP 3.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 72.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
45.95
General disorders and administration site conditions
21.62
Nervous system disorders
13.51
Injury, poisoning and procedural complications
8.11
Cardiac disorders
2.7
Gastrointestinal disorders
2.7
Immune system disorders
2.7
Respiratory, thoracic and mediastinal disorders
2.7

Cross References

Resources Reference
CAS NUMBER 3093-35-4
ChEBI 31663
ChEMBL CHEMBL1200845
DrugBank DB06786
DrugCentral 4507
EPA CompTox DTXSID6045375
FDA SRS SI86V6QNEG
PubChem 443943
SureChEMBL SCHEMBL4335
ZINC ZINC000004213474
CONTENTS