| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4435266
Max Phase: Preclinical
Molecular Formula: C35H34N2O6S
Molecular Weight: 610.73
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12Cc1ccccc1
Standard InChI: InChI=1S/C35H34N2O6S/c38-21-9-22-42-29-18-16-27(17-19-29)33-36-35(24-26-10-3-1-4-11-26)32(43-33)31-15-8-7-12-28(31)25-37(34(35)39)20-23-44(40,41)30-13-5-2-6-14-30/h1-8,10-19,32,38H,9,20-25H2/t32-,35-/m0/s1
Standard InChI Key: CRNLVHYOIHPORM-SHUZPENHSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
ST486 111 Activities
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NCI-H1963 107 Activities
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CA46 271 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Protein max 98 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 |
|---|
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: 610.73 | Molecular Weight (Monoisotopic): 610.2138 | AlogP: 4.76 | #Rotatable Bonds: 11 |
| Polar Surface Area: 105.50 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.77 | CX LogD: 4.77 |
| Aromatic Rings: 4 | Heavy Atoms: 44 | QED Weighted: 0.25 | Np Likeness Score: -0.39 |
References
| 1. (2017) Max binders as myc modulators and uses thereof, |
| 2. (2017) Max binders as myc modulators and uses thereof, |
| 3. (2017) Max binders as myc modulators and uses thereof, |
Source
Source(1):