| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA362624
Max Phase: Preclinical
Molecular Formula: C23H29N3
Molecular Weight: 347.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1CN(Cc1ccc(C(C)(C)C)cc1)Cc1c[nH]cn1
Standard InChI: InChI=1S/C23H29N3/c1-18-7-5-6-8-20(18)15-26(16-22-13-24-17-25-22)14-19-9-11-21(12-10-19)23(2,3)4/h5-13,17H,14-16H2,1-4H3,(H,24,25)
Standard InChI Key: ZAERPMQNGHKZGC-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: 347.51 | Molecular Weight (Monoisotopic): 347.2361 | AlogP: 5.22 | #Rotatable Bonds: 6 |
| Polar Surface Area: 31.92 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.91 | CX Basic pKa: 6.98 | CX LogP: 5.39 | CX LogD: 5.25 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.66 | Np Likeness Score: -1.21 |
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):