Molecule Details
| InChIKey | RJKFOVLPORLFTN-LEKSSAKUSA-N |
|---|---|
| Compound Name | Progesterone |
| Canonical SMILES | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00396 |
|---|---|
| Drug Name | Progesterone |
| CAS Number | 57-83-0 |
| Groups | approved investigational vet_approved |
| ATC Codes | G03FA04 G03DA04 |
| Description | Progesterone is a hormone that occurs naturally in females, and is essential for endometrial receptivity, embryo implantation, and the successful establishment of pregnancy. A low progesterone concentration or an insufficient response to progesterone can cause infertility and pregnancy loss [A175609... |
Categories: Adrenal Cortex Hormones BCRP/ABCG2 Inducers BCRP/ABCG2 Inhibitors BSEP/ABCB11 Inhibitors Corpus Luteum Hormones Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP2A6 Inducers Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strength unknown) Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents OATP1B1/SLCO1B1 Inhibitors OATP1B3 inducers OCT1 inhibitors OCT2 Inhibitors P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates Pregnanes Pregnenediones Pregnenes Progesterone and Derivatives Progesterone, antagonists & inhibitors Progestin-containing Intrauterine Device Progestins Sex Hormones and Modulators of the Genital System Steroids
Cross-references: BindingDB: 8903 ChEBI: 17026 CHEMBL103 ChemSpider: 5773 Drugs Product Database (DPD): 7554 C00410 D00066 PDB: STR PharmGKB: PA451123 PubChem:5994 PubChem:46508968 RxCUI: 8727 Therapeutic Targets Database: DAP000549 Wikipedia: Progesterone ZINC: ZINC000004428529
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 10.0 | pIC50 | TTD_MultiTarget |
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 8.5 | Ki | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 7.9 | Ki | ChEMBL;BindingDB |
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 7.8 | IC50 | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 7.5 | Ki | ChEMBL;BindingDB |
| P08185 | SERPINA6 | Homo sapiens | Human | PF00079 | 7.4 | Ki | ChEMBL;BindingDB |
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 6.9 | Kd | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.6 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 10.0 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (45)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | inducer | enzymes |
| P05093 | CYP17A1 | Steroid 17-alpha-hydroxylase/17,20 lyase | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | substrate | enzymes |
| P41145 | OPRK1 | Kappa-type opioid receptor | activator | targets |
| P03372 | ESR1 | Estrogen receptor | agonist | targets |
| P06401 | PGR | Progesterone receptor | agonist | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | agonist | targets |
| P10275 | AR | Androgen receptor | agonist | targets |
| Q92731 | ESR2 | Estrogen receptor beta | agonist | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | antagonist | targets |
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | targets |
| P04278 | SHBG | Sex hormone-binding globulin | binder | targets |
| P03372 | ESR1 | Estrogen receptor | downregulator | targets |
| Q92731 | ESR2 | Estrogen receptor beta | downregulator | targets |
| P03372 | ESR1 | Estrogen receptor | inhibitor | targets |
| P05093 | CYP17A1 | Steroid 17-alpha-hydroxylase/17,20 lyase | inhibitor | targets |
| P04150 | NR3C1 | Glucocorticoid receptor | partial agonist | targets |
| P04278 | SHBG | Sex hormone-binding globulin | potentiator | targets |
| P10275 | AR | Androgen receptor | potentiator | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | potentiator | targets |
| P05093 | CYP17A1 | Steroid 17-alpha-hydroxylase/17,20 lyase | substrate | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inducer | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inducer | transporters |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| O75751 | SLC22A3 | Solute carrier family 22 member 3 | inhibitor | transporters |
| O95342 | ABCB11 | Bile salt export pump | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | inhibitor | transporters |
| Q14973 | SLC10A1 | Hepatic sodium/bile acid cotransporter | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |