| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4593400
Max Phase: Preclinical
Molecular Formula: C24H29N3O5
Molecular Weight: 439.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=CN(O)C[C@@H](CC1CCCC1)C(=O)NCNC(=O)c1cccc(Oc2ccccc2)c1
Standard InChI: InChI=1S/C24H29N3O5/c28-17-27(31)15-20(13-18-7-4-5-8-18)24(30)26-16-25-23(29)19-9-6-12-22(14-19)32-21-10-2-1-3-11-21/h1-3,6,9-12,14,17-18,20,31H,4-5,7-8,13,15-16H2,(H,25,29)(H,26,30)/t20-/m1/s1
Standard InChI Key: HGPDESJTWBFLBN-HXUWFJFHSA-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: 439.51 | Molecular Weight (Monoisotopic): 439.2107 | AlogP: 3.33 | #Rotatable Bonds: 11 |
| Polar Surface Area: 107.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.39 | CX Basic pKa: | CX LogP: 2.90 | CX LogD: 2.86 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.22 | Np Likeness Score: -0.34 |
References
| 1. (2017) Hydroxy formamide derivatives and their use, |
Source
Source(1):