| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4591585
Max Phase: Preclinical
Molecular Formula: C24H31N3O6S
Molecular Weight: 489.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1
Standard InChI: InChI=1S/C24H31N3O6S/c1-3-4-5-8-21(15-27(31)17-28)24(30)26-16-25-23(29)20-11-6-9-18(13-20)19-10-7-12-22(14-19)34(2,32)33/h6-7,9-14,17,21,31H,3-5,8,15-16H2,1-2H3,(H,25,29)(H,26,30)/t21-/m1/s1
Standard InChI Key: MYGKIYONZOUAJE-OAQYLSRUSA-N
Associated Targets(Human)
Bone morphogenetic protein 1 1282 Activities
Tolloid-like protein 1 400 Activities
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Tolloid-like protein 2 396 Activities
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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: 489.59 | Molecular Weight (Monoisotopic): 489.1934 | AlogP: 2.60 | #Rotatable Bonds: 13 |
| Polar Surface Area: 132.88 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.39 | CX Basic pKa: | CX LogP: 2.07 | CX LogD: 2.03 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.13 | Np Likeness Score: -0.67 |
References
| 1. (2017) Hydroxy formamide derivatives and their use, |
Source
Source(1):