| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4290291
Max Phase: Preclinical
Molecular Formula: C24H32ClN5O2
Molecular Weight: 421.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C(C)(C)NCCO)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.Cl
Standard InChI: InChI=1S/C24H31N5O2.ClH/c1-23(2)9-7-16(8-10-23)19-13-17(24(3,4)27-11-12-30)5-6-20(19)29-22(31)21-26-15-18(14-25)28-21;/h5-7,13,15,27,30H,8-12H2,1-4H3,(H,26,28)(H,29,31);1H
Standard InChI Key: NGHAAKJLWCSDBM-UHFFFAOYSA-N
Associated Targets(non-human)
Macrophage colony-stimulating factor 1 receptor 491 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: 421.55 | Molecular Weight (Monoisotopic): 421.2478 | AlogP: 3.94 | #Rotatable Bonds: 7 |
| Polar Surface Area: 113.83 | Molecular Species: BASE | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.42 | CX Basic pKa: 8.93 | CX LogP: 1.99 | CX LogD: 1.78 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.54 | Np Likeness Score: -0.30 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):