| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3969929
Max Phase: Preclinical
Molecular Formula: C25H25N7O
Molecular Weight: 439.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(C(C)(O)c5ccccc5)nc(N)n4)c3c2)cn1
Standard InChI: InChI=1S/C25H25N7O/c1-15(2)32-14-17(12-29-32)16-9-19-20(13-28-23(19)27-11-16)21-10-22(31-24(26)30-21)25(3,33)18-7-5-4-6-8-18/h4-15,33H,1-3H3,(H,27,28)(H2,26,30,31)
Standard InChI Key: JDBDJPSCRBWYRW-UHFFFAOYSA-N
Associated Targets(Human)
3-phosphoinositide dependent protein kinase-1 3758 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: 439.52 | Molecular Weight (Monoisotopic): 439.2121 | AlogP: 4.30 | #Rotatable Bonds: 5 |
| Polar Surface Area: 118.53 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.85 | CX Basic pKa: 3.06 | CX LogP: 3.57 | CX LogD: 3.57 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.38 | Np Likeness Score: -0.96 |
References
| 1. (2016) 1-H-pyrrolo[2,3-b]pyridine derivatives, |
Source
Source(1):