| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2436173
Max Phase: Preclinical
Molecular Formula: C24H26N2O2
Molecular Weight: 374.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC[C@H]1CCCN1C)C(=O)CC3
Standard InChI: InChI=1S/C24H26N2O2/c1-15(27)16-5-8-21-20(14-16)24-19-7-10-23(28)18(19)6-9-22(24)26(21)13-11-17-4-3-12-25(17)2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3/t17-/m1/s1
Standard InChI Key: HCMMBTOYIMVPBJ-QGZVFWFLSA-N
Associated Targets(Human)
TP53 Tchem Cellular tumor antigen p53 (48468 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: 374.48 | Molecular Weight (Monoisotopic): 374.1994 | AlogP: 4.61 | #Rotatable Bonds: 4 |
| Polar Surface Area: 42.31 | Molecular Species: BASE | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.77 | CX LogP: 3.28 | CX LogD: 1.90 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.63 | Np Likeness Score: -0.09 |
References
| 1. Rongved P, Kirsch G, Bouaziz Z, Jose J, Le Borgne M.. (2013) Indenoindoles and cyclopentacarbazoles as bioactive compounds: synthesis and biological applications., 69 [PMID:24090918] [10.1016/j.ejmech.2013.08.049] |
Source
Source(1):