| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4450599
Max Phase: Preclinical
Molecular Formula: C12H11N5O
Molecular Weight: 241.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(-c2c[nH]c3ncccc23)nc(N)n1
Standard InChI: InChI=1S/C12H11N5O/c1-18-10-5-9(16-12(13)17-10)8-6-15-11-7(8)3-2-4-14-11/h2-6H,1H3,(H,14,15)(H2,13,16,17)
Standard InChI Key: JYQSLTHJUHOXFJ-UHFFFAOYSA-N
Associated Targets(Human)
Ramos 1218 Activities
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: 241.25 | Molecular Weight (Monoisotopic): 241.0964 | AlogP: 1.61 | #Rotatable Bonds: 2 |
| Polar Surface Area: 89.71 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.94 | CX Basic pKa: 4.43 | CX LogP: 1.62 | CX LogD: 1.62 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.71 | Np Likeness Score: -1.08 |
References
| 1. Drießen D, Stuhldreier F, Frank A, Stark H, Wesselborg S, Stork B, Müller TJJ.. (2019) Novel meriolin derivatives as rapid apoptosis inducers., 27 (15): [PMID:31248707] [10.1016/j.bmc.2019.06.029] |
Source
Source(1):