| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2238469
Max Phase: Preclinical
Molecular Formula: C33H27NO3
Molecular Weight: 485.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=C(C(=O)c2ccccc2)C(c2cccc(Oc3ccccc3)c2)C(C(=O)c2ccccc2)=C(C)N1
Standard InChI: InChI=1S/C33H27NO3/c1-22-29(32(35)24-13-6-3-7-14-24)31(30(23(2)34-22)33(36)25-15-8-4-9-16-25)26-17-12-20-28(21-26)37-27-18-10-5-11-19-27/h3-21,31,34H,1-2H3
Standard InChI Key: UZLKVYWHZWCDNA-UHFFFAOYSA-N
Associated Targets(non-human)
Voltage-gated L-type calcium channel 1164 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: 485.58 | Molecular Weight (Monoisotopic): 485.1991 | AlogP: 7.48 | #Rotatable Bonds: 7 |
| Polar Surface Area: 55.40 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.13 | CX LogD: 6.13 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.28 | Np Likeness Score: -0.40 |
References
| 1. Bariwal JJ, Malhotra M, Molnar J, Jain KS, Shah AK, Bariwal JB. (2012) Synthesis, characterization and anticancer activity of 3-aza-analogues of DP-7, 21 (12): [10.1007/s00044-011-9925-5] |
Source
Source(1):