| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA261408
Max Phase: Preclinical
Molecular Formula: C20H15ClN2O4
Molecular Weight: 382.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@]1(c2ccccc2)NC(=O)N(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1=O
Standard InChI: InChI=1S/C20H15ClN2O4/c1-20(14-5-3-2-4-6-14)18(25)23(19(26)22-20)17(24)13-9-12-10-15(21)7-8-16(12)27-11-13/h2-10H,11H2,1H3,(H,22,26)/t20-/m0/s1
Standard InChI Key: KAUPEIPHJNYYGS-FQEVSTJZSA-N
Associated Targets(Human)
Voltage-gated potassium channel subfamily A member 1/beta-1 22 Activities
Voltage-gated potassium channel subunit Kv1.1 248 Activities
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Potassium voltage-gated channel subfamily D member 2 12 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 382.80 | Molecular Weight (Monoisotopic): 382.0720 | AlogP: 3.11 | #Rotatable Bonds: 2 |
| Polar Surface Area: 75.71 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.05 | CX Basic pKa: | CX LogP: 3.35 | CX LogD: 3.35 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.64 | Np Likeness Score: -0.69 |
References
| 1. Lu Q, Peevey J, Jow F, Monaghan MM, Mendoza G, Zhang H, Wu J, Kim CY, Bicksler J, Greenblatt L, Lin SS, Childers W, Bowlby MR.. (2008) Disruption of Kv1.1 N-type inactivation by novel small molecule inhibitors (disinactivators)., 16 (6): [PMID:18226531] [10.1016/j.bmc.2007.12.031] |
Source
Source(1):