| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4592248
Max Phase: Preclinical
Molecular Formula: C23H28FN3O4
Molecular Weight: 429.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2ccccc2F)c1
Standard InChI: InChI=1S/C23H28FN3O4/c1-2-3-4-8-19(14-27(31)16-28)23(30)26-15-25-22(29)18-10-7-9-17(13-18)20-11-5-6-12-21(20)24/h5-7,9-13,16,19,31H,2-4,8,14-15H2,1H3,(H,25,29)(H,26,30)/t19-/m1/s1
Standard InChI Key: HYSIPLFQMVCLCZ-LJQANCHMSA-N
Associated Targets(Human)
Bone morphogenetic protein 1 1282 Activities
Tolloid-like protein 1 400 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tolloid-like protein 2 396 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: Unknown | 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: 429.49 | Molecular Weight (Monoisotopic): 429.2064 | AlogP: 3.34 | #Rotatable Bonds: 12 |
| Polar Surface Area: 98.74 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.39 | CX Basic pKa: | CX LogP: 3.37 | CX LogD: 3.33 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.16 | Np Likeness Score: -0.52 |
References
| 1. (2017) Hydroxy formamide derivatives and their use, |
Source
Source(1):