AFN-003255
testedSeries A · 2-anilino-4-arylpyrimidinesC20H15F3N4O1 batch · 3 results
Structure
- Canonical SMILES
- Cn1cc(-c2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c2ccccc21
- Formula
- C20H15F3N4O
- InChIKey
- FQTDFSCGRBHMAT-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- OH
- R2
- CF3
- Ar
- 1-Me-indol-3-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 | 6.62 | Approved · locked | CRV-2026-00428-015 |
| ASY-EGFR-WT-02 | EGFR WT | 5.80 | Approved · locked | CRV-2026-00464-015 |
| ASY-H1975-01 | H1975 cells | 5.49 | Approved · locked | CRV-2026-00525-007 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003255-01 | 31.4 | 95.3 | 2026-07-15 |
Calculated properties
- MW (g/mol)
- 384.4≤ 500
- cLogP
- 5.10≤ 4
- TPSA (Ų)
- 63.060–110 Ų
- HBD
- 2
- HBA
- 5
- Rotatable bonds
- 3
- Aromatic rings
- 4
- Heavy atoms
- 28
- Fsp³
- 0.10
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.13≤ 5
- Solubility (µM)
- 1.6≥ 50 µM
- Clint (µL/min/mg)
- 49.7≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 12.3
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003255
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