AFN-002557
testedSeries A · 2-anilino-4-arylpyrimidinesC15H12FN5O2S1 batch · 3 results
Structure
- Canonical SMILES
- CS(=O)(=O)c1ccc(Nc2ncc(F)c(-c3cncnc3)n2)cc1
- Formula
- C15H12FN5O2S
- InChIKey
- ZQIKEWSFHMRSDI-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- SO2Me
- R2
- F
- Ar
- Pyrimidin-5-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 | 7.51 | Approved · locked | CRV-2026-00422-022 |
| ASY-EGFR-WT-02 | EGFR WT | 5.26 | Approved · locked | CRV-2026-00458-022 |
| ASY-H1975-01 | H1975 cells | 6.70 | Rejected | CRV-2026-00514-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-002557-01 | 16.4 | 95.7 | 2026-10-27 |
Calculated properties
- MW (g/mol)
- 345.4≤ 500
- cLogP
- 2.22≤ 4
- TPSA (Ų)
- 97.760–110 Ų
- HBD
- 1
- HBA
- 7
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 24
- Fsp³
- 0.07
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 3.79≤ 5
- Solubility (µM)
- 53.7≥ 50 µM
- Clint (µL/min/mg)
- 9.4≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 10.8
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-002557
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