AFN-004258
testedSeries B · 4-anilinoquinazolinesC17H13ClN4O21 batch · 3 results
Structure
- Canonical SMILES
- C=CC(=O)Nc1cc2c(Nc3ccc(O)cc3)ncnc2cc1Cl
- Formula
- C17H13ClN4O2
- InChIKey
- CFQBZQRWEPPTSY-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- OH
- R6
- acrylamido
- R7
- Cl
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 6.91 | Approved · locked | CRV-2026-00438-006 |
| ASY-EGFR-WT-02 | EGFR WT | 7.92 | Approved · locked | CRV-2026-00474-006 |
| ASY-H1975-01 | H1975 cells | 5.55 | Approved · locked | CRV-2026-00544-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004258-01 | 26.4 | 96.7 | 2026-09-15 |
Calculated properties
- MW (g/mol)
- 340.8≤ 500
- cLogP
- 3.86≤ 4
- TPSA (Ų)
- 87.160–110 Ų
- HBD
- 3
- HBA
- 5
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 24
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.58≤ 5
- Solubility (µM)
- 12.0≥ 50 µM
- Clint (µL/min/mg)
- 35.0≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 9.2
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004258
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