AFN-003034
testedSeries A · 2-anilino-4-arylpyrimidinesC17H16FN51 batch · 3 results
Structure
- Canonical SMILES
- Cn1cc(-c2nc(Nc3ccc(C4CC4)cc3)ncc2F)cn1
- Formula
- C17H16FN5
- InChIKey
- FTSVKLAYTYKTMZ-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- cyclopropyl
- R2
- F
- 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 | 7.28 | Approved · locked | CRV-2026-00426-021 |
| ASY-EGFR-WT-02 | EGFR WT | 5.53 | Approved · locked | CRV-2026-00462-021 |
| ASY-H1975-01 | H1975 cells | 6.25 | Approved · locked | CRV-2026-00522-005 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003034-01 | 17.0 | 95.4 | 2026-08-17 |
Calculated properties
- MW (g/mol)
- 309.4≤ 500
- cLogP
- 3.64≤ 4
- TPSA (Ų)
- 55.660–110 Ų
- HBD
- 1
- HBA
- 5
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 23
- Fsp³
- 0.23
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.80≤ 5
- Solubility (µM)
- 9.9≥ 50 µM
- Clint (µL/min/mg)
- 23.4≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 15.8
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003034
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