AZD-4017

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3JL137394Y

Structure
InChI Key NCDZABJPWMBMIQ-INIZCTEOSA-N
Smile CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1
InChI
InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H33N3O3S
Molecular Weight 419.59
AlogP 4.34
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 82.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 11-beta-hydroxysteroid dehydrogenase 1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2-7 - - -
Enzyme
- 2-7 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Pituitary ACTH Hypersecretion 2 D047748 ClinicalTrials
Pseudotumor Cerebri 2 D011559 ClinicalTrials
Ocular Hypertension 2 D009798 ClinicalTrials
Obesity 1 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2153191
DrugBank DB14875
EPA CompTox DTXSID80145044
FDA SRS 3JL137394Y
Guide to Pharmacology 7695
PDB 14M
PubChem 24946280
SureChEMBL SCHEMBL1967349
ZINC ZINC000095575356
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