| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4590470
Max Phase: Preclinical
Molecular Formula: C22H30N3O7P
Molecular Weight: 479.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(P(C)(=O)O)c2)o1
Standard InChI: InChI=1S/C22H30N3O7P/c1-3-4-5-7-17(13-25(29)15-26)21(27)23-14-24-22(28)20-11-10-19(32-20)16-8-6-9-18(12-16)33(2,30)31/h6,8-12,15,17,29H,3-5,7,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,30,31)/t17-/m1/s1
Standard InChI Key: FKPYKQOAWVRRMM-QGZVFWFLSA-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: 479.47 | Molecular Weight (Monoisotopic): 479.1821 | AlogP: 2.32 | #Rotatable Bonds: 13 |
| Polar Surface Area: 149.18 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.45 | CX Basic pKa: | CX LogP: 0.38 | CX LogD: -1.92 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.09 | Np Likeness Score: -0.36 |
References
| 1. (2016) Hydroxy formamide derivatives and their use, |
Source
Source(1):