| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3273992
Max Phase: Preclinical
Molecular Formula: C22H30O2
Molecular Weight: 326.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
Standard InChI: InChI=1S/C22H30O2/c1-4-22(24-15(2)23)14-12-20-19-10-9-16-7-5-6-8-17(16)18(19)11-13-21(20,22)3/h1,7,17-20H,5-6,8-14H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
Standard InChI Key: NCFRAPQDQZEHED-ZCPXKWAGSA-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: 326.48 | Molecular Weight (Monoisotopic): 326.2246 | AlogP: 4.88 | #Rotatable Bonds: 1 |
| Polar Surface Area: 26.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.48 | CX LogD: 4.48 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.39 | Np Likeness Score: 1.82 |
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):