AFN-000274
testedSeries A · 2-anilino-4-arylpyrimidinesC14H12FN51 batch · 3 results
Structure
- Canonical SMILES
- Cn1cc(-c2ccnc(Nc3ccc(F)cc3)n2)cn1
- Formula
- C14H12FN5
- InChIKey
- NTCBPAXIIPDFOS-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- F
- R2
- H
- Ar
- 1-Me-pyrazol-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 | 7.23 | Approved · locked | CRV-2026-00401-028 |
| ASY-EGFR-WT-02 | EGFR WT | 5.48 | Approved · locked | CRV-2026-00440-028 |
| ASY-H1975-01 | H1975 cells | 6.07 | Approved · locked | CRV-2026-00479-004 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-000274-01 | 8.9 | 95.0 | 2026-10-08 |
Calculated properties
- MW (g/mol)
- 269.3≤ 500
- cLogP
- 2.76≤ 4
- TPSA (Ų)
- 55.660–110 Ų
- HBD
- 1
- HBA
- 5
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 20
- Fsp³
- 0.07
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.63≤ 5
- Solubility (µM)
- 22.4≥ 50 µM
- Clint (µL/min/mg)
- 16.7≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 15.9
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-000274
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