| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4591795
Max Phase: Preclinical
Molecular Formula: C26H28BN3O6
Molecular Weight: 489.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=CN(O)C[C@@H](CCc1ccccc1)C(=O)NCNC(=O)c1cccc(-c2cccc(B(O)O)c2)c1
Standard InChI: InChI=1S/C26H28BN3O6/c31-18-30(36)16-23(13-12-19-6-2-1-3-7-19)26(33)29-17-28-25(32)22-10-4-8-20(14-22)21-9-5-11-24(15-21)27(34)35/h1-11,14-15,18,23,34-36H,12-13,16-17H2,(H,28,32)(H,29,33)/t23-/m1/s1
Standard InChI Key: HGDNIYUGIARWGK-HSZRJFAPSA-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: 489.34 | Molecular Weight (Monoisotopic): 489.2071 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. (2017) Hydroxy formamide derivatives and their use, |
Source
Source(1):