AFN-002430
testedSeries A · 2-anilino-4-arylpyrimidinesC21H20BrF2N51 batch · 3 results
Structure
- Canonical SMILES
- CN1CCN(c2ccc(Nc3ncc(Br)c(-c4cc(F)cc(F)c4)n3)cc2)CC1
- Formula
- C21H20BrF2N5
- InChIKey
- CNKFBUXFOXVJJN-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- 4-Me-piperazin-1-yl
- R2
- Br
- Ar
- 3,5-diF-phenyl
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 7.59 | Approved · locked | CRV-2026-00422-009 |
| ASY-EGFR-WT-02 | EGFR WT | 6.25 | Rejected | CRV-2026-00458-009 |
| ASY-H1975-01 | H1975 cells | 6.82 | Approved · locked | CRV-2026-00513-001 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-002430-01 | 33.3 | 98.5 | 2026-07-08 |
Calculated properties
- MW (g/mol)
- 460.3≤ 500
- cLogP
- 4.68≤ 4
- TPSA (Ų)
- 44.360–110 Ų
- HBD
- 1
- HBA
- 5
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 29
- Fsp³
- 0.24
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.61≤ 5
- Solubility (µM)
- 1.9≥ 50 µM
- Clint (µL/min/mg)
- 51.8≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 16.8
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-002430
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.