AFN-000765
testedSeries A · 2-anilino-4-arylpyrimidinesC18H16FN31 batch · 3 results
Structure
- Canonical SMILES
- Cc1ccc(Nc2ncc(C)c(-c3ccc(F)cc3)n2)cc1
- Formula
- C18H16FN3
- InChIKey
- WAFXELPGGFJBKK-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- Me
- R2
- Me
- Ar
- 4-F-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 | 7.37 | Approved · locked | CRV-2026-00405-022 |
| ASY-EGFR-WT-02 | EGFR WT | 5.64 | Approved · locked | CRV-2026-00444-022 |
| ASY-H1975-01 | H1975 cells | 6.07 | Approved · locked | CRV-2026-00486-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-000765-01 | 32.7 | 99.5 | 2026-10-07 |
Calculated properties
- MW (g/mol)
- 293.4≤ 500
- cLogP
- 4.64≤ 4
- TPSA (Ų)
- 37.860–110 Ų
- HBD
- 1
- HBA
- 3
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 22
- Fsp³
- 0.11
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.20≤ 5
- Solubility (µM)
- 2.6≥ 50 µM
- Clint (µL/min/mg)
- 45.9≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 18.4
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-000765
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.