| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2442618
Max Phase: Preclinical
Molecular Formula: C31H28Br2N2O5S
Molecular Weight: 700.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(N(CC(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)OC(C)=O)S(=O)(=O)c2ccc(C)cc2)c1
Standard InChI: InChI=1S/C31H28Br2N2O5S/c1-20-7-11-27(12-8-20)41(37,38)35(24-5-4-6-25(17-24)39-3)19-26(40-21(2)36)18-34-30-13-9-22(32)15-28(30)29-16-23(33)10-14-31(29)34/h4-17,26H,18-19H2,1-3H3
Standard InChI Key: VGGBTEIZYIMGPE-UHFFFAOYSA-N
Associated Targets(non-human)
NSC 149 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 700.45 | Molecular Weight (Monoisotopic): 698.0086 | AlogP: 7.46 | #Rotatable Bonds: 9 |
| Polar Surface Area: 77.84 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.53 | CX LogD: 7.53 |
| Aromatic Rings: 5 | Heavy Atoms: 41 | QED Weighted: 0.15 | Np Likeness Score: -0.89 |
References
| 1. Yoon HJ, Kong SY, Park MH, Cho Y, Kim SE, Shin JY, Jung S, Lee J, Farhanullah, Kim HJ, Lee J.. (2013) Aminopropyl carbazole analogues as potent enhancers of neurogenesis., 21 (22): [PMID:24095011] [10.1016/j.bmc.2013.08.066] |
Source
Source(1):