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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1162
CHEMBL1162
Compound Name NORETHINDRONE
ChEMBL Synonyms Combipatch | HEATHER | NORIDAY | NORETHINDRONE | Norlutate | NORLUTIN | NOR-QD | MICRONOR | CAMILA | Activella | PRIMOLUT N | JENCYCLA | Femhrt | AYGESTIN | MICRONOR HRT | INCASSIA | UTOVLAN | NORETHIDRONE | NORETHISTERONE | MENZOL | ERRIN
Max Phase 4 (Approved)
Trade Names HEATHER | INCASSIA | MICRONOR HRT | CAMILA | MICRONOR | NOR-QD | NORLUTIN | NORETHINDRONE | NORIDAY | AYGESTIN | JENCYCLA | PRIMOLUT N | NORETHIDRONE | UTOVLAN | MENZOL | ERRIN
Molecular Formula C20H26O2

Additional synonyms for CHEMBL1162 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O ...
Download SMILES
Standard InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7- ...
Download InChI
Standard InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1162

Molecule Features

CHEMBL1162 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Progesterone receptor agonist Progesterone receptor PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Hepatitis CD006526EFO:0003047hepatitis C infection1ClinicalTrials
Multiple Sclerosis, Relapsing-RemittingD020529EFO:0003929relapsing-remitting multiple sclerosis2ClinicalTrials
DysmenorrheaD0044123ClinicalTrials
MenopauseD008593EFO:0003922menopause3ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Sexual Dysfunction, PhysiologicalD012735EFO:0004714sexual dysfunction3ClinicalTrials
Reperfusion InjuryD015427EFO:0002687ischemia reperfusion injury2ClinicalTrials

Clinical Data

ClinicalTrials.gov NORETHINDRONE
The Cochrane Collaboration NORETHINDRONE

Metabolites for CHEMBL1162

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1162. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.999
CHEMBL3056 Androgen Receptor Mus musculus 0.999
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.996
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.996
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.984
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.984
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.876
CHEMBL233 Mu opioid receptor Homo sapiens 0.828



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.999
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.997
CHEMBL3056 Androgen Receptor Mus musculus 0.995
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.994
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.994
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.993
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.966
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.954

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.4 298.1933 3.49 0 37.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.09 - 2.86 2.86 0 22 0.7

Structural Alerts

There are 4 structural alerts for CHEMBL1162. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03A - HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
G03AC - Progestogens
G03AC01 - norethisterone

G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03D - PROGESTOGENS
G03DC - Estren derivatives
G03DC02 - norethisterone

ChemSpider ChemSpider:VIKNJXKGJWUCNN-XGXHKTLJSA-N
DailyMed norethindrone
PubChem SID: 144204875 SID: 144212744 SID: 170464683 SID: 49647479
Wikipedia Norethisterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1162



ACToR 68-22-4
BindingDB 50148732
ChEBI 7627
ChemicalBook CB0455127
DrugBank DB00717
DrugCentral 1962
eMolecules 511539 29541867
EPA CompTox Dashboard DTXSID9023380
FDA SRS T18F433X4S
Guide to Pharmacology 2880
Human Metabolome Database HMDB0014855
IBM Patent System CB1277D705065573AF06D2110FBB7A35
KEGG Ligand C05028
LINCS LSM-4061
LipidMaps LMST02030097
Mcule MCULE-9156628994
MolPort MolPort-002-507-131
NIH Clinical Collection SAM002564223
Nikkaji J1.416H
PDBe NDR
PharmGKB PA450651
PubChem 6230
PubChem: Thomson Pharma 14873694 14873691
Selleck norethindrone-norethisterone
SureChEMBL SCHEMBL23390
ZINC ZINC000085205451

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VIKNJXKGJWUCNN-XGXHKTLJSA-N spacer
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