| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261603
Max Phase: Preclinical
Molecular Formula: C10H15ClN4O
Molecular Weight: 242.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC1=NC(C)(Cl)CC=C1NC1=NCCN1
Standard InChI: InChI=1S/C10H15ClN4O/c1-10(11)4-3-7(8(15-10)16-2)14-9-12-5-6-13-9/h3H,4-6H2,1-2H3,(H2,12,13,14)
Standard InChI Key: AQMRXKMJHQAHSM-UHFFFAOYSA-N
Associated Targets(non-human)
Nischarin 241 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: 242.71 | Molecular Weight (Monoisotopic): 242.0934 | AlogP: 0.82 | #Rotatable Bonds: 1 |
| Polar Surface Area: 58.01 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.70 | CX LogP: 0.72 | CX LogD: -1.34 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.53 | Np Likeness Score: 0.57 |
References
| 1. Nicolotti O, Carotti A, Carrieri A, Pigini M, Gentili F, Brasili L, Giannella M, Quaglia W, Piergentili A, Bousquet P, Dontenwill M. (2004) Alpha2-Adrenergic Receptors in Intestinal Epithelial Cells: Mechanisms of Signaling, Role, and Regulation, 13 (3): [10.1007/s00044-004-0023-9] |
Source
Source(1):