| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4112693
Max Phase: Preclinical
Molecular Formula: C29H33N5O2
Molecular Weight: 483.62
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(C#N)C[C@@]4(C)CC[C@](C)(C3)O4)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C29H33N5O2/c1-26(2)9-7-19(8-10-26)22-13-20(29(18-31)16-27(3)11-12-28(4,17-29)36-27)5-6-23(22)34-25(35)24-32-15-21(14-30)33-24/h5-7,13,15H,8-12,16-17H2,1-4H3,(H,32,33)(H,34,35)/t27-,28-/m1/s1
Standard InChI Key: QIMOBKDZNGIPRY-VSGBNLITSA-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: 483.62 | Molecular Weight (Monoisotopic): 483.2634 | AlogP: 6.01 | #Rotatable Bonds: 4 |
| Polar Surface Area: 114.59 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.44 | CX Basic pKa: | CX LogP: 5.06 | CX LogD: 4.79 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.55 | Np Likeness Score: 0.12 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):