AFN-004072
testedSeries B · 4-anilinoquinazolinesC15H11FN4O1 batch · 3 results
Structure
- Canonical SMILES
- NC(=O)c1ccc(Nc2ncnc3cc(F)ccc23)cc1
- Formula
- C15H11FN4O
- InChIKey
- JILFMZFXJVVSMO-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- CONH2
- R6
- H
- R7
- F
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 6.10 | Approved · locked | CRV-2026-00436-013 |
| ASY-EGFR-WT-02 | EGFR WT | 7.25 | Approved · locked | CRV-2026-00472-013 |
| ASY-H1975-01 | H1975 cells | > 3.90 | Approved · locked | CRV-2026-00541-005 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004072-01 | 30.8 | 95.6 | 2026-10-09 |
Calculated properties
- MW (g/mol)
- 282.3≤ 500
- cLogP
- 2.61≤ 4
- TPSA (Ų)
- 80.960–110 Ų
- HBD
- 2
- HBA
- 4
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 21
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.43≤ 5
- Solubility (µM)
- 44.8≥ 50 µM
- Clint (µL/min/mg)
- 20.8≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 11.6
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004072
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