| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3144853
Max Phase: Preclinical
Molecular Formula: C18H20N4O5S
Molecular Weight: 404.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1[nH]n(C(C)(C)C)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
Standard InChI: InChI=1S/C18H20N4O5S/c1-10-15(17(24)22(21-10)18(2,3)4)19-20-16-12-8-6-5-7-11(12)14(9-13(16)23)28(25,26)27/h5-9,21,23H,1-4H3,(H,25,26,27)/b20-19+
Standard InChI Key: KPJOMHQNVZUKNQ-FMQUCBEESA-N
Associated Targets(Human)
Thrombopoietin receptor 559 Activities
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: 404.45 | Molecular Weight (Monoisotopic): 404.1154 | AlogP: 3.76 | #Rotatable Bonds: 3 |
| Polar Surface Area: 137.11 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -2.50 | CX Basic pKa: | CX LogP: 0.61 | CX LogD: -1.49 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.45 | Np Likeness Score: -0.33 |
References
| 1. Duffy KJ, Darcy MG, Delorme E, Dillon SB, Eppley DF, Erickson-Miller C, Giampa L, Hopson CB, Huang Y, Keenan RM, Lamb P, Leong L, Liu N, Miller SG, Price AT, Rosen J, Shah R, Shaw TN, Smith H, Stark KC, Tian SS, Tyree C, Wiggall KJ, Zhang L, Luengo JI.. (2001) Hydrazinonaphthalene and azonaphthalene thrombopoietin mimics are nonpeptidyl promoters of megakaryocytopoiesis., 44 (22): [PMID:11606138] [10.1021/jm010283l] |
Source
Source(1):