| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593417
Max Phase: Preclinical
Molecular Formula: C23H29N5O2S2
Molecular Weight: 471.65
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C(=O)N(C)C)ccc3s1)CCNC2
Standard InChI: InChI=1S/C23H29N5O2S2/c1-13(2)25-10-8-19(29)27-22-20(15-7-9-24-12-18(15)32-22)21-26-16-11-14(23(30)28(3)4)5-6-17(16)31-21/h5-6,11,13,24-25H,7-10,12H2,1-4H3,(H,27,29)
Standard InChI Key: WVEVZACRGUUMQM-UHFFFAOYSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
NCI-H2171 837 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: 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 471.65 | Molecular Weight (Monoisotopic): 471.1763 | AlogP: 3.70 | #Rotatable Bonds: 7 |
| Polar Surface Area: 86.36 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.58 | CX Basic pKa: 9.72 | CX LogP: 2.52 | CX LogD: -0.53 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.49 | Np Likeness Score: -2.06 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):