| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAXIKDIOL
ID: ALA162114
Max Phase: Preclinical
Molecular Formula: C20H32O2
Molecular Weight: 304.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C[C@]1(C)C=C2CC[C@@]3(O)C(C)(C)CC[C@H](O)[C@]3(C)C2CC1
Standard InChI: InChI=1S/C20H32O2/c1-6-18(4)11-8-15-14(13-18)7-12-20(22)17(2,3)10-9-16(21)19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15?,16-,18-,19-,20+/m0/s1
Standard InChI Key: MCDCRJGLZBKTID-NPGYXOSGSA-N
Associated Targets(non-human)
Voltage-gated potassium channel subunit Kv1.3 28 Activities
Molecule Features
| Natural Product: Yes | 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: 304.47 | Molecular Weight (Monoisotopic): 304.2402 | AlogP: 4.23 | #Rotatable Bonds: 1 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.86 | CX Basic pKa: | CX LogP: 3.64 | CX LogD: 3.64 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.71 | Np Likeness Score: 3.42 |
References
| 1. Ondeyka JG, Ball RG, Garcia ML, Dombrowski AW, Sabnis G, Kaczorowski GJ, Zink DL, Bills GF, Goetz MA, Schmalhofer WA, Singh SB. (1995) A carotane sesquiterpene as a potent modulator of the Maxi-K channel from Arthrinium phaesospermum, 5 (7): [10.1016/0960-894X(95)00104-2] |
Source
Source(1):