ID: ALA5094941
Max Phase: Preclinical
Molecular Formula: C16H14F2N6O3
Molecular Weight: 376.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccc(F)c(F)c3)n2)(C2CC2)N1
Standard InChI: InChI=1S/C16H14F2N6O3/c17-10-4-3-9(5-11(10)18)24-20-6-12(23-24)13(25)19-7-16(8-1-2-8)14(26)21-15(27)22-16/h3-6,8H,1-2,7H2,(H,19,25)(H2,21,22,26,27)/t16-/m0/s1
Standard InChI Key: KYMAEAJXAYIKRK-INIZCTEOSA-N
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 376.32 | Molecular Weight (Monoisotopic): 376.1095 | AlogP: 0.26 | #Rotatable Bonds: 5 |
| Polar Surface Area: 118.01 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.87 | CX Basic pKa: | CX LogP: 0.02 | CX LogD: 0.00 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.65 | Np Likeness Score: -1.69 |
References
| 1. (2021) Substituted hydantoinamides as adamts7 antagonists, |
Source
Source(1):