AFN-002757
testedSeries A · 2-anilino-4-arylpyrimidinesC15H11BrN6O1 batch · 3 results
Structure
- Canonical SMILES
- NC(=O)c1ccc(Nc2ncc(Br)c(-c3cncnc3)n2)cc1
- Formula
- C15H11BrN6O
- InChIKey
- MSKGUSCEZAXQGV-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- CONH2
- R2
- Br
- Ar
- Pyrimidin-5-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 | 7.31 | Approved · locked | CRV-2026-00424-015 |
| ASY-EGFR-WT-02 | EGFR WT | 5.70 | Approved · locked | CRV-2026-00460-015 |
| ASY-H1975-01 | H1975 cells | 6.50 | Approved · locked | CRV-2026-00517-007 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-002757-01 | 29.5 | 99.1 | 2026-09-16 |
Calculated properties
- MW (g/mol)
- 371.2≤ 500
- cLogP
- 2.54≤ 4
- TPSA (Ų)
- 106.760–110 Ų
- HBD
- 2
- HBA
- 6
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 23
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 3.87≤ 5
- Solubility (µM)
- 29.2≥ 50 µM
- Clint (µL/min/mg)
- 17.0≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 5.1
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-002757
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.