| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3273996
Max Phase: Preclinical
Molecular Formula: C19H30O
Molecular Weight: 274.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
Standard InChI: InChI=1S/C19H30O/c1-18-11-9-15-14-6-4-3-5-13(14)7-8-16(15)17(18)10-12-19(18,2)20/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
Standard InChI Key: LFCXTTKVDPTRKF-ZOFHRBRSSA-N
Associated Targets(Human)
Progesterone receptor 8562 Activities
Associated Targets(non-human)
Progesterone receptor 52 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Progesterone receptor 449 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 274.45 | Molecular Weight (Monoisotopic): 274.2297 | AlogP: 4.70 | #Rotatable Bonds: 0 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.17 | CX LogD: 4.17 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.63 | Np Likeness Score: 2.09 |
References
| 1. Lee DL, Kollman PA, Marsh FJ, Wolff ME.. (1977) Quantitative relationships between steroid structure and binding to putative progesterone receptors., 20 (9): [PMID:926114] [10.1021/jm00219a006] |
Source
Source(1):