AFN-000370
testedSeries A · 2-anilino-4-arylpyrimidinesC17H9F6N31 batch · 3 results
Structure
- Canonical SMILES
- Fc1ccc(Nc2ncc(C(F)(F)F)c(-c3cc(F)cc(F)c3)n2)cc1
- Formula
- C17H9F6N3
- InChIKey
- MPBVQUJGWBDAGJ-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- F
- R2
- CF3
- 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 | 6.86 | Approved · locked | CRV-2026-00403-006 |
| ASY-EGFR-WT-02 | EGFR WT | 5.74 | Approved · locked | CRV-2026-00442-006 |
| ASY-H1975-01 | H1975 cells | 5.59 | Approved · locked | CRV-2026-00480-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-000370-01 | 32.1 | 99.0 | 2026-06-25 |
Calculated properties
- MW (g/mol)
- 369.3≤ 500
- cLogP
- 5.32≤ 4
- TPSA (Ų)
- 37.860–110 Ų
- HBD
- 1
- HBA
- 3
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 26
- Fsp³
- 0.06
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.62≤ 5
- Solubility (µM)
- 1.0≥ 50 µM
- Clint (µL/min/mg)
- 48.5≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 20.3
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-000370
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.