Molecule Details
| InChIKey | PSGAAPLEWMOORI-PEINSRQWSA-N |
|---|---|
| Compound Name | Medroxyprogesterone Acetate |
| Canonical SMILES | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.81 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00603 |
|---|---|
| Drug Name | Medroxyprogesterone acetate |
| CAS Number | 71-58-9 |
| Groups | approved investigational |
| ATC Codes | G03AA08 G03DA02 G03FB06 G03FA12 L02AB02 G03AA17 G03AC06 |
| Description | Medroxyprogesterone acetate (MPA) is a [progesterone] derivative that is more resistant to metabolism for improved pharmacokinetic properties.[A14848] MPA can be use to treat secondary amenorrhea, endometrial hyperplasia, abnormal uterine bleeding, osteoporosis, vasomotor symptoms in menopause, vulv... |
Categories: Adrenal Cortex Hormones Antineoplastic Agents Antineoplastic Agents, Hormonal Antineoplastic and Immunomodulating Agents Combination Contraceptives (with Estrogen and derivatives) Contraceptive Agents, Female Contraceptive Agents, Hormonal Contraceptive Agents, Male Contraceptives, Oral Contraceptives, Oral, Hormonal Contraceptives, Oral, Synthetic Corpus Luteum Hormones Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers 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 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Endocrine Therapy Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists Hydroxyprogesterones Hyperglycemia-Associated Agents P-glycoprotein inhibitors Pregnanes Pregnen (4) Derivatives Pregnenediones Pregnenes Progesterone Congeners Progesterone and Derivatives Progestin Contraceptives Progestins Progestogens and Estrogens, Sequential Preparations Reproductive Control Agents Sex Hormones and Modulators of the Genital System Steroids
Cross-references: BindingDB: 50067678 ChEBI: 6716 CHEMBL717 ChemSpider: 6043 Drugs Product Database (DPD): 7538 Guide to Pharmacology: 2879 IUPHAR: 2879 C08150 D00951 PharmGKB: PA450344 PubChem:6279 PubChem:46508895 RxCUI: 1000112 Therapeutic Targets Database: DAP001211 Wikipedia: Medroxyprogesterone ZINC: ZINC000005029557
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 9.5 | Ki | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 8.5 | Ki | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 7.9 | Ki | ChEMBL;BindingDB |
| P42330 | AKR1C3 | Homo sapiens | Human | PF00248 | 6.5 | IC50 | ChEMBL;BindingDB |
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 6.2 | Kd | ChEMBL;BindingDB |
| Q04828 | AKR1C1 | Homo sapiens | Human | PF00248 | 6.2 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.0 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | pIC50 | TTD_MultiTarget |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.0 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.0 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 6.0 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P26439 | P26439 | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 | inhibitor | enzymes |
| P04800 | P04800 | Cytochrome P450 3A1 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P03372 | ESR1 | Estrogen receptor | agonist | targets |
| P06401 | PGR | Progesterone receptor | agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | targets |
| P14867 | GABRA1 | GABA(A) Receptor | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |