AFN-003312
testedSeries B · 4-anilinoquinazolinesC15H12FN3O1 batch · 3 results
Structure
- Canonical SMILES
- COc1cc2c(Nc3ccccc3)ncnc2cc1F
- Formula
- C15H12FN3O
- InChIKey
- SPOFZIOLUMGRBP-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- H
- R6
- OMe
- 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 | 5.77 | Approved · locked | CRV-2026-00428-024 |
| ASY-EGFR-WT-02 | EGFR WT | 7.73 | Approved · locked | CRV-2026-00464-024 |
| ASY-H1975-01 | H1975 cells | > 3.32 | Approved · locked | CRV-2026-00526-008 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003312-01 | 12.0 | 95.7 | 2026-07-09 |
Calculated properties
- MW (g/mol)
- 269.3≤ 500
- cLogP
- 3.52≤ 4
- TPSA (Ų)
- 47.060–110 Ų
- HBD
- 1
- HBA
- 4
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 20
- Fsp³
- 0.07
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.50≤ 5
- Solubility (µM)
- 8.4≥ 50 µM
- Clint (µL/min/mg)
- 23.6≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 20.2
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003312
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