| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3277213
Max Phase: Preclinical
Molecular Formula: C10H13ClO2
Molecular Weight: 200.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(Cl)c1OCCCO
Standard InChI: InChI=1S/C10H13ClO2/c1-8-4-2-5-9(11)10(8)13-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3
Standard InChI Key: KJWBURJIOWEUCZ-UHFFFAOYSA-N
Associated Targets(non-human)
Trichophyton mentagrophytes 4846 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: 200.66 | Molecular Weight (Monoisotopic): 200.0604 | AlogP: 2.41 | #Rotatable Bonds: 4 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.30 | CX LogD: 2.30 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.76 | Np Likeness Score: -0.63 |
References
| 1. Kubinyi H, Kehrhahn OH.. (1976) Quantitative structure-activity relationships. 1. The modified Free-Wilson approach., 19 (5): [PMID:1271399] [10.1021/jm00227a003] |
Source
Source(1):