| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA211153
Max Phase: Preclinical
Molecular Formula: C11H12ClN
Molecular Weight: 193.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc2c(c1)C[C@@H]1CNC[C@H]21
Standard InChI: InChI=1S/C11H12ClN/c12-9-1-2-10-7(4-9)3-8-5-13-6-11(8)10/h1-2,4,8,11,13H,3,5-6H2/t8-,11+/m1/s1
Standard InChI Key: LJFGIJGOJASCOG-KCJUWKMLSA-N
Associated Targets(Human)
HTR2B Tclin Serotonin receptor (2b and 2c) (118 Activities)
HTR2A Tclin Serotonin 2 receptors; 5-HT2a & 5-HT2c (792 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 193.68 | Molecular Weight (Monoisotopic): 193.0658 | AlogP: 2.20 | #Rotatable Bonds: 0 |
| Polar Surface Area: 12.03 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 11.00 | CX LogP: 2.29 | CX LogD: -0.80 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.67 | Np Likeness Score: 0.24 |
References
| 1. Huck BR, Llamas L, Robarge MJ, Dent TC, Song J, Hodnick WF, Crumrine C, Stricker-Krongrad A, Harrington J, Brunden KR, Bennani YL.. (2006) The design and synthesis of a tricyclic single-nitrogen scaffold that serves as a 5-HT2C receptor agonist., 16 (15): [PMID:16750364] [10.1016/j.bmcl.2006.04.070] |
Source
Source(1):