| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4552170
Max Phase: Preclinical
Molecular Formula: C12H10N4
Molecular Weight: 210.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1cc(-c2c[nH]c3ncccc23)ccn1
Standard InChI: InChI=1S/C12H10N4/c13-11-6-8(3-5-14-11)10-7-16-12-9(10)2-1-4-15-12/h1-7H,(H2,13,14)(H,15,16)
Standard InChI Key: RCHRKGWFYYUGMO-UHFFFAOYSA-N
Associated Targets(Human)
Ramos 1218 Activities
Sphingosine kinase 1 1990 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Sphingosine kinase 2 1579 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: 210.24 | Molecular Weight (Monoisotopic): 210.0905 | AlogP: 2.21 | #Rotatable Bonds: 1 |
| Polar Surface Area: 67.59 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.37 | CX LogP: 1.42 | CX LogD: 1.38 |
| Aromatic Rings: 3 | Heavy Atoms: 16 | QED Weighted: 0.65 | Np Likeness Score: -0.04 |
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):