| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA178368
Max Phase: Preclinical
Molecular Formula: C24H31N3O
Molecular Weight: 377.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCN(Cc1ccc(Oc2ccccc2)cc1)Cc1c[nH]cn1
Standard InChI: InChI=1S/C24H31N3O/c1-2-3-4-5-9-16-27(19-22-17-25-20-26-22)18-21-12-14-24(15-13-21)28-23-10-7-6-8-11-23/h6-8,10-15,17,20H,2-5,9,16,18-19H2,1H3,(H,25,26)
Standard InChI Key: LFLUKOOORXNORH-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: 377.53 | Molecular Weight (Monoisotopic): 377.2467 | AlogP: 6.17 | #Rotatable Bonds: 12 |
| 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: 7.40 | CX LogP: 5.76 | CX LogD: 5.46 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.38 | Np Likeness Score: -0.76 |
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):