AFN-004216
testedSeries B · 4-anilinoquinazolinesC14H10FN3O1 batch · 3 results
Structure
- Canonical SMILES
- Oc1ccc(Nc2ncnc3cc(F)ccc23)cc1
- Formula
- C14H10FN3O
- InChIKey
- KWKQUDYPVIASQO-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- OH
- 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 | 5.87 | Approved · locked | CRV-2026-00436-032 |
| ASY-EGFR-WT-02 | EGFR WT | 7.37 | Rejected | CRV-2026-00472-032 |
| ASY-H1975-01 | H1975 cells | 5.25 | Approved · locked | CRV-2026-00543-008 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004216-01 | 41.3 | 99.5 | 2026-08-28 |
Calculated properties
- MW (g/mol)
- 255.3≤ 500
- cLogP
- 3.22≤ 4
- TPSA (Ų)
- 58.060–110 Ų
- HBD
- 2
- HBA
- 4
- Rotatable bonds
- 2
- Aromatic rings
- 3
- Heavy atoms
- 19
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.83≤ 5
- Solubility (µM)
- 22.6≥ 50 µM
- Clint (µL/min/mg)
- 20.0≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 15.1
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004216
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