| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1734946
Max Phase: Preclinical
Molecular Formula: C16H15N3O3
Molecular Weight: 297.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1c(NCC(=O)c2ccc(O)c(O)c2)nc2ccccc21
Standard InChI: InChI=1S/C16H15N3O3/c1-19-12-5-3-2-4-11(12)18-16(19)17-9-15(22)10-6-7-13(20)14(21)8-10/h2-8,20-21H,9H2,1H3,(H,17,18)
Standard InChI Key: RIVFZTDDXDTXNS-UHFFFAOYSA-N
Associated Targets(Human)
Alkaline phosphatase placental-like 1197 Activities
Alkaline phosphatase, tissue-nonspecific isozyme 1551 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: Small molecule | 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: 297.31 | Molecular Weight (Monoisotopic): 297.1113 | AlogP: 2.28 | #Rotatable Bonds: 4 |
| Polar Surface Area: 87.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.85 | CX Basic pKa: 4.71 | CX LogP: 2.27 | CX LogD: 2.13 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.51 | Np Likeness Score: -0.63 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):