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Phenyl-[4-(2-phenyl-imidazol-1-yl)-pyrimidin-2-yl]-amine
ID: ALA43949
Chembl Id: CHEMBL43949
PubChem CID: 44291004
Max Phase: Preclinical
Molecular Formula: C19H15N5
Molecular Weight: 313.36
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: c1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1
Standard InChI: InChI=1S/C19H15N5/c1-3-7-15(8-4-1)18-20-13-14-24(18)17-11-12-21-19(23-17)22-16-9-5-2-6-10-16/h1-14H,(H,21,22,23)
Standard InChI Key: YCARBOUWYVAOTL-UHFFFAOYSA-N
Associated Targets(Human)
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 |
|---|
Calculated Properties
| Molecular Weight: 313.36 | Molecular Weight (Monoisotopic): 313.1327 | AlogP: 4.07 | #Rotatable Bonds: 4 |
| Polar Surface Area: 55.63 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 13.40 | CX Basic pKa: 5.29 | CX LogP: 4.55 | CX LogD: 4.55 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.62 | Np Likeness Score: -1.43 |
References
| 1. Manley PJ, Balitza AE, Bilodeau MT, Coll KE, Hartman GD, McFall RC, Rickert KW, Rodman LD, Thomas KA.. (2003) 2,4-disubstituted pyrimidines: a novel class of KDR kinase inhibitors., 13 (10): [PMID:12729639] [10.1016/s0960-894x(03)00244-0] |
