| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5196630
Max Phase: Preclinical
Molecular Formula: C18H20N2O
Molecular Weight: 280.37
Associated Items:
Representations
Canonical SMILES: Oc1cc2[nH]c3ccccc3c2cc1CN1CCCCC1
Standard InChI: InChI=1S/C18H20N2O/c21-18-11-17-15(14-6-2-3-7-16(14)19-17)10-13(18)12-20-8-4-1-5-9-20/h2-3,6-7,10-11,19,21H,1,4-5,8-9,12H2
Standard InChI Key: ZWULXSZHIQVCLK-UHFFFAOYSA-N
Associated Targets(Human)
HCT-116 (91556 Activities)
HT-29 (80576 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SW837 (110 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MDA-MB-231 (73002 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 280.37 | Molecular Weight (Monoisotopic): 280.1576 | AlogP: 4.01 | #Rotatable Bonds: 2 |
| Polar Surface Area: 39.26 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.71 | CX Basic pKa: 10.00 | CX LogP: 2.26 | CX LogD: 1.84 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.74 | Np Likeness Score: -0.25 |
References
| 1. Wang G, Sun S, Guo H.. (2022) Current status of carbazole hybrids as anticancer agents., 229 [PMID:34838335] [10.1016/j.ejmech.2021.113999] |
Source
Source(1):