The store will not work correctly when cookies are disabled.
(3-Amino-propyl)-cyclohexylmethyl-phosphinic acid
ID: ALA112362
Chembl Id: CHEMBL112362
Max Phase: Preclinical
Molecular Formula: C10H22NO2P
Molecular Weight: 219.26
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: NCCCP(=O)(O)CC1CCCCC1
Standard InChI: InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
Standard InChI Key: XOESDNIUAWGCLU-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
|---|
Calculated Properties
| Molecular Weight: 219.26 | Molecular Weight (Monoisotopic): 219.1388 | AlogP: 2.19 | #Rotatable Bonds: 5 |
| Polar Surface Area: 63.32 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.91 | CX Basic pKa: 10.21 | CX LogP: -0.55 | CX LogD: -0.55 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.70 | Np Likeness Score: 0.56 |
References
| 1. Froestl W, Mickel SJ, von Sprecher G, Diel PJ, Hall RG, Maier L, Strub D, Melillo V, Baumann PA, Bernasconi R.. (1995) Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists., 38 (17): [PMID:7650685] [10.1021/jm00017a016] |
| 2. PubChem BioAssay data set, |
| 3. PubChem BioAssay data set, |
