| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA359958
Max Phase: Preclinical
Molecular Formula: C26H27N3O
Molecular Weight: 397.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(CCN(Cc2ccc(Oc3ccccc3)cc2)Cc2c[nH]cn2)cc1
Standard InChI: InChI=1S/C26H27N3O/c1-21-7-9-22(10-8-21)15-16-29(19-24-17-27-20-28-24)18-23-11-13-26(14-12-23)30-25-5-3-2-4-6-25/h2-14,17,20H,15-16,18-19H2,1H3,(H,27,28)
Standard InChI Key: IKOZHIDSXHEERB-UHFFFAOYSA-N
Associated Targets(Human)
Geranylgeranyl transferase type I 851 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: 397.52 | Molecular Weight (Monoisotopic): 397.2154 | AlogP: 5.76 | #Rotatable Bonds: 9 |
| Polar Surface Area: 41.15 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.91 | CX Basic pKa: 7.44 | CX LogP: 5.63 | CX LogD: 5.31 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.39 | Np Likeness Score: -0.92 |
References
| 1. Saha AK, End DW.. (2005) Novel beta-(imidazol-4-yl)-beta-amino acids: solid-phase synthesis and study of their inhibitory activity against geranylgeranyl protein transferase type I., 15 (6): [PMID:15745827] [10.1016/j.bmcl.2005.01.042] |
Source
Source(1):