| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4447621
Max Phase: Preclinical
Molecular Formula: C19H16N4
Molecular Weight: 300.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1ccc(CNc2ccc(-c3c[nH]c4ncccc34)cn2)cc1
Standard InChI: InChI=1S/C19H16N4/c1-2-5-14(6-3-1)11-21-18-9-8-15(12-22-18)17-13-23-19-16(17)7-4-10-20-19/h1-10,12-13H,11H2,(H,20,23)(H,21,22)
Standard InChI Key: DTRKEOKFLWSGTB-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: 300.37 | Molecular Weight (Monoisotopic): 300.1375 | AlogP: 4.24 | #Rotatable Bonds: 4 |
| Polar Surface Area: 53.60 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.98 | CX LogP: 3.44 | CX LogD: 3.43 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.59 | Np Likeness Score: -1.14 |
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):