| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4593784
Max Phase: Preclinical
Molecular Formula: C23H15BrN4O3
Molecular Weight: 475.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc(Br)cn3)c2)cc1
Standard InChI: InChI=1S/C23H15BrN4O3/c24-18-7-10-20(26-13-18)22-12-17(14-1-3-16(4-2-14)23(25)29)11-21(27-22)15-5-8-19(9-6-15)28(30)31/h1-13H,(H2,25,29)
Standard InChI Key: OSYFJZOAXYTCDE-UHFFFAOYSA-N
Associated Targets(Human)
c-Myc/Max 258 Activities
Myc proto-oncogene protein 1178 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 475.30 | Molecular Weight (Monoisotopic): 474.0328 | AlogP: 5.25 | #Rotatable Bonds: 5 |
| Polar Surface Area: 112.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.03 | CX LogP: 5.20 | CX LogD: 5.20 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.31 | Np Likeness Score: -1.23 |
References
| 1. (2016) Small molecule c-myc inhibitors, |
Source
Source(1):