| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OKARAMINE C
ID: ALA2288240
Max Phase: Preclinical
Molecular Formula: C32H36N4O3
Molecular Weight: 524.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CC(C)(C)c1[nH]c2ccccc2c1CC1NC(=O)[C@H]2C[C@@]3(O)c4ccccc4N(C(C)(C)C=C)[C@H]3N2C1=O
Standard InChI: InChI=1S/C32H36N4O3/c1-7-30(3,4)26-20(19-13-9-11-15-22(19)33-26)17-23-28(38)35-25(27(37)34-23)18-32(39)21-14-10-12-16-24(21)36(29(32)35)31(5,6)8-2/h7-16,23,25,29,33,39H,1-2,17-18H2,3-6H3,(H,34,37)/t23?,25-,29-,32-/m1/s1
Standard InChI Key: YWLAQSLUIQTZON-RECIGGTHSA-N
Associated Targets(non-human)
Bombyx mori 577 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: 524.67 | Molecular Weight (Monoisotopic): 524.2787 | AlogP: 4.27 | #Rotatable Bonds: 6 |
| Polar Surface Area: 88.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.43 | CX Basic pKa: | CX LogP: 4.75 | CX LogD: 4.75 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.42 | Np Likeness Score: 1.73 |
References
| 1. HAYASHI H, FUJIWARA T, MURAO S, ARAI M. (1991) Okaramine C, a New Insecticidal Indole Alkaloid from Penicillium simplicissimum., 55 (12): [10.1271/bbb1961.55.3143] |
Source
Source(1):