AFN-003142
testedSeries A · 2-anilino-4-arylpyrimidinesC15H12N4O1 batch · 3 results
Structure
- Canonical SMILES
- Oc1ccc(Nc2nccc(-c3ccncc3)n2)cc1
- Formula
- C15H12N4O
- InChIKey
- JDDXILVQILQBMC-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- OH
- R2
- H
- Ar
- Pyridin-4-yl
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 6.81 | Approved · locked | CRV-2026-00426-031 |
| ASY-EGFR-WT-02 | EGFR WT | 5.24 | Approved · locked | CRV-2026-00462-031 |
| ASY-H1975-01 | H1975 cells | 5.58 | Approved · locked | CRV-2026-00523-007 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003142-01 | 7.4 | 95.7 | 2026-09-09 |
Calculated properties
- MW (g/mol)
- 264.3≤ 500
- cLogP
- 2.99≤ 4
- TPSA (Ų)
- 70.960–110 Ų
- HBD
- 2
- HBA
- 5
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 20
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.52≤ 5
- Solubility (µM)
- 27.0≥ 50 µM
- Clint (µL/min/mg)
- 20.8≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 12.3
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003142
Nothing has been done to this record since the library was loaded. A registration, or a correction to one, is written here with its actor and the UTC time.