AFN-000390
testedSeries A · 2-anilino-4-arylpyrimidinesC17H9F3N41 batch · 3 results
Structure
- Canonical SMILES
- N#Cc1cnc(Nc2ccc(F)cc2)nc1-c1cc(F)cc(F)c1
- Formula
- C17H9F3N4
- InChIKey
- IWYKJMMEGCGIGP-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- F
- R2
- CN
- 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 | 7.25 | Approved · locked | CRV-2026-00403-007 |
| ASY-EGFR-WT-02 | EGFR WT | 5.88 | Approved · locked | CRV-2026-00442-007 |
| ASY-H1975-01 | H1975 cells | 6.12 | Rejected | CRV-2026-00480-007 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-000390-01 | 19.6 | 99.0 | 2026-09-25 |
Calculated properties
- MW (g/mol)
- 326.3≤ 500
- cLogP
- 4.18≤ 4
- TPSA (Ų)
- 61.660–110 Ų
- HBD
- 1
- HBA
- 4
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 24
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.10≤ 5
- Solubility (µM)
- 9.1≥ 50 µM
- Clint (µL/min/mg)
- 39.1≤ 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-000390
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