DOCONEXENT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZAD9OKH9JC

Structure
InChI Key MBMBGCFOFBJSGT-KUBAVDMBSA-N
Smile CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O2
Molecular Weight 328.5
AlogP 6.55
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 33200 - - -
Enzyme Oxidoreductase
- 15000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Free fatty acid receptor
11700-36000 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- 2000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
- 4822.4 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1
- 4822.4 - 6292 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 4 Nuclear hormone receptor subfamily 4 group A Nuclear hormone receptor subfamily 4 group A member 1
- - - - 25

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Premature Birth 3 D047928 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Alzheimer Disease 3 D000544 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 3 D001289 ClinicalTrials
Retinitis Pigmentosa 3 D012174 ClinicalTrials
Paget's Disease, Mammary 2 D010144 ClinicalTrials
Adenoma 2 D000236 ClinicalTrials
Retinopathy of Prematurity 2 D012178 ClinicalTrials
Arrhythmias, Cardiac 2 D001145 ClinicalTrials
Carcinoma, Lobular 2 D018275 ClinicalTrials
Sepsis 2 D018805 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 2 D002285 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Asthenozoospermia 2 D053627 ClinicalTrials
Cardiovascular Diseases 2 D002318 ClinicalTrials
Heart Diseases 1 D006331 ClinicalTrials
Brain Concussion 1 D001924 ClinicalTrials
Amblyopia 1 D000550 ClinicalTrials
Macular Degeneration 1 D008268 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Parkinson Disease 1 D010300 ClinicalTrials
Feeding and Eating Disorders 1 D001068 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Enterocolitis, Necrotizing 1 D020345 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials

Cross References

Resources Reference
ChEBI 28125
ChEMBL CHEMBL367149
DrugBank DB03756
DrugCentral 4289
EPA CompTox DTXSID5040465
FDA SRS ZAD9OKH9JC
Human Metabolome Database HMDB0002183
Guide to Pharmacology 1051
KEGG C06429
PDB HXA
PubChem 445580
SureChEMBL SCHEMBL19577
ZINC ZINC000004474564
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