| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4594103
Max Phase: Preclinical
Molecular Formula: C23H29N5O5
Molecular Weight: 455.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2ccc3cnn(C)c3c2)o1
Standard InChI: InChI=1S/C23H29N5O5/c1-3-4-5-6-18(13-28(32)15-29)22(30)24-14-25-23(31)21-10-9-20(33-21)16-7-8-17-12-26-27(2)19(17)11-16/h7-12,15,18,32H,3-6,13-14H2,1-2H3,(H,24,30)(H,25,31)/t18-/m1/s1
Standard InChI Key: CGBVFJHQHOTGBW-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 |
|---|
Tolloid-like protein 2 396 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 455.52 | Molecular Weight (Monoisotopic): 455.2169 | AlogP: 2.68 | #Rotatable Bonds: 12 |
| Polar Surface Area: 129.70 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.39 | CX Basic pKa: 1.18 | CX LogP: 1.65 | CX LogD: 1.61 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.13 | Np Likeness Score: -0.76 |
References
| 1. (2016) Hydroxy formamide derivatives and their use, |
Source
Source(1):