Molecule Details
| InChIKey | VIKNJXKGJWUCNN-XGXHKTLJSA-N |
|---|---|
| Compound Name | Norethindrone |
| Canonical SMILES | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00717 |
|---|---|
| Drug Name | Norethisterone |
| CAS Number | 68-22-4 |
| Groups | approved investigational |
| ATC Codes | H01CC53 H01CC54 G03AA05 G03DC02 G03AB04 G03AC01 G03FA01 G03FB05 |
| Description | Norethisterone, also known as norethindrone, is a synthetic progestational hormone belonging to the 19-nortestosterone-derived class of progestins.[A10367] It is further classified as a second-generation progestin, along with [levonorgestrel] and its derivatives, and is the active form of several ot... |
Categories: Adrenal Cortex Hormones Anti-Gonadotropin-Releasing Hormones Combination Contraceptives (with Estrogen and derivatives) Contraceptive Agents, Female Contraceptive Agents, Hormonal Contraceptives, Oral Contraceptives, Oral, Hormonal Contraceptives, Oral, Synthetic Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Estren Derivatives Fused-Ring Compounds Genito Urinary System and Sex Hormones Hormonal Contraceptives for Systemic Use Hyperglycemia-Associated Agents Hypothalamic Hormones Norpregnenes Norsteroids P-glycoprotein inhibitors Pituitary and Hypothalamic Hormones and Analogues Progestin Contraceptives Progestins Progestogens and Estrogens, Sequential Preparations Reproductive Control Agents Sex Hormones and Modulators of the Genital System Steroids Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins
Cross-references: BindingDB: 50148732 ChEBI: 7627 CHEMBL1162 ChemSpider: 5994 Drugs Product Database (DPD): 7500 C05028 D00182 PDB: NDR PharmGKB: PA450651 PubChem:6230 PubChem:46504816 RxCUI: 7514 Therapeutic Targets Database: DAP001212 Wikipedia: Norethisterone ZINC: ZINC000085205451
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 8.7 | IC50 | ChEMBL;BindingDB |
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 8.0 | Kd | ChEMBL;BindingDB |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.6 | pIC50 | TTD_MultiTarget |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.5 | IC50 | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.4 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 6.6 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (15)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | substrate | carriers |
| P04278 | SHBG | Sex hormone-binding globulin | substrate | carriers |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inducer | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P17516 | AKR1C4 | Aldo-keto reductase family 1 member C4 | substrate | enzymes |
| P18405 | SRD5A1 | 3-oxo-5-alpha-steroid 4-dehydrogenase | substrate | enzymes |
| P26439 | P26439 | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P51857 | AKR1D1 | Aldo-keto reductase family 1 member D1 | substrate | enzymes |
| P04150 | NR3C1 | Glucocorticoid receptor | agonist | targets |
| P06401 | PGR | Progesterone receptor | agonist | targets |
| P10275 | AR | Androgen receptor | agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |