AFN-002410
testedSeries A · 2-anilino-4-arylpyrimidinesC21H20ClF2N51 batch · 3 results
Structure
- Canonical SMILES
- CN1CCN(c2ccc(Nc3ncc(Cl)c(-c4cc(F)cc(F)c4)n3)cc2)CC1
- Formula
- C21H20ClF2N5
- InChIKey
- IHVWZCGBMKBWBH-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- 4-Me-piperazin-1-yl
- R2
- Cl
- 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 | 7.86 | Approved · locked | CRV-2026-00422-006 |
| ASY-EGFR-WT-02 | EGFR WT | 6.25 | Rejected | CRV-2026-00458-006 |
| ASY-H1975-01 | H1975 cells | 7.14 | Rejected | CRV-2026-00512-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-002410-01 | 42.1 | 98.6 | 2026-08-02 |
Calculated properties
- MW (g/mol)
- 415.9≤ 500
- cLogP
- 4.57≤ 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
- 5.64≤ 5
- Solubility (µM)
- 3.4≥ 50 µM
- Clint (µL/min/mg)
- 50.3≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 19.5
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-002410
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