| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA380656
Max Phase: Preclinical
Molecular Formula: C19H12N2O3
Molecular Weight: 316.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3ccccc23)C1=O
Standard InChI: InChI=1S/C19H12N2O3/c1-21-18(23)15-10-4-2-3-5-11(10)17-14(16(15)19(21)24)12-8-9(22)6-7-13(12)20-17/h2-8,20,22H,1H3
Standard InChI Key: DIWDCGUMOQYNMI-UHFFFAOYSA-N
Associated Targets(Human)
CEM/C2 38 Activities
CCRF-CEM 65223 Activities
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Cyclin-dependent kinase 5/CDK5 activator 1 3697 Activities
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Glycogen synthase kinase-3 736 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 316.32 | Molecular Weight (Monoisotopic): 316.0848 | AlogP: 3.41 | #Rotatable Bonds: 0 |
| Polar Surface Area: 73.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.15 | CX Basic pKa: | CX LogP: 2.72 | CX LogD: 2.71 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.49 | Np Likeness Score: 0.49 |
References
| 1. Routier S, Mérour JY, Dias N, Lansiaux A, Bailly C, Lozach O, Meijer L.. (2006) Synthesis and biological evaluation of novel phenylcarbazoles as potential anticancer agents., 49 (2): [PMID:16420063] [10.1021/jm050945x] |
Source
Source(1):