| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA38320
Max Phase: Preclinical
Molecular Formula: C15H5Cl2F4NO2
Molecular Weight: 378.11
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1Cc1c(Cl)cccc1Cl
Standard InChI: InChI=1S/C15H5Cl2F4NO2/c16-6-2-1-3-7(17)5(6)4-22-14(23)8-9(15(22)24)11(19)13(21)12(20)10(8)18/h1-3H,4H2
Standard InChI Key: VFFWBGWAHFVKDG-UHFFFAOYSA-N
Associated Targets(Human)
Androgen Receptor 11781 Activities
HL-60 67320 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
SC-3 21 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 378.11 | Molecular Weight (Monoisotopic): 376.9633 | AlogP: 4.35 | #Rotatable Bonds: 2 |
| Polar Surface Area: 37.38 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.42 | CX LogD: 4.42 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.34 | Np Likeness Score: -0.98 |
References
| 1. Miyachi H, Azuma A, Kitamoto T, Hayashi K, Kato S, Koga M, Sato B, Hashimoto Y. (1997) Potent novel nonsteroidal androgen antagonists with a phthalimide skeleton, 7 (11): [10.1016/S0960-894X(97)00249-7] |
Source
Source(1):