AFN-001975
testedSeries A · 2-anilino-4-arylpyrimidinesC21H14F3N51 batch · 3 results
Structure
- Canonical SMILES
- Cn1cc(-c2nc(Nc3ccc(C#N)cc3)ncc2C(F)(F)F)c2ccccc21
- Formula
- C21H14F3N5
- InChIKey
- JWPZKRYNUJVEIW-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- CN
- 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 | 7.96 | Rejected | CRV-2026-00415-004 |
| ASY-EGFR-WT-02 | EGFR WT | 5.95 | Approved · locked | CRV-2026-00454-004 |
| ASY-H1975-01 | H1975 cells | 6.90 | Approved · locked | CRV-2026-00504-004 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-001975-01 | 44.5 | 96.3 | 2026-10-20 |
Calculated properties
- MW (g/mol)
- 393.4≤ 500
- cLogP
- 5.27≤ 4
- TPSA (Ų)
- 66.560–110 Ų
- HBD
- 1
- HBA
- 5
- Rotatable bonds
- 3
- Aromatic rings
- 4
- Heavy atoms
- 29
- Fsp³
- 0.10
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.30≤ 5
- Solubility (µM)
- 1.9≥ 50 µM
- Clint (µL/min/mg)
- 61.9≤ 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-001975
Nothing has been done to this record since the library was loaded. A registration, or a correction to one, is written here with its actor and the UTC time.