| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4593613
Max Phase: Preclinical
Molecular Formula: C23H32N3O8P
Molecular Weight: 509.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(P(=O)(OC)OC)c2)o1
Standard InChI: InChI=1S/C23H32N3O8P/c1-4-5-6-8-18(14-26(30)16-27)22(28)24-15-25-23(29)21-12-11-20(34-21)17-9-7-10-19(13-17)35(31,32-2)33-3/h7,9-13,16,18,30H,4-6,8,14-15H2,1-3H3,(H,24,28)(H,25,29)/t18-/m1/s1
Standard InChI Key: JKTJAVYBYYEWEJ-GOSISDBHSA-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: 509.50 | Molecular Weight (Monoisotopic): 509.1927 | AlogP: 2.91 | #Rotatable Bonds: 15 |
| Polar Surface Area: 147.41 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.39 | CX Basic pKa: | CX LogP: 1.57 | CX LogD: 1.53 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.08 | Np Likeness Score: -0.37 |
References
| 1. (2016) Hydroxy formamide derivatives and their use, |
Source
Source(1):