AFN-004027
testedSeries B · 4-anilinoquinazolinesC15H13N3O3S1 batch · 3 results
Structure
- Canonical SMILES
- CS(=O)(=O)c1ccc(Nc2ncnc3cc(O)ccc23)cc1
- Formula
- C15H13N3O3S
- InChIKey
- XFWHCWCEPOSAJW-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- SO2Me
- R6
- H
- R7
- OH
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 5.73 | Approved · locked | CRV-2026-00436-007 |
| ASY-EGFR-WT-02 | EGFR WT | 7.00 | Approved · locked | CRV-2026-00472-007 |
| ASY-H1975-01 | H1975 cells | 5.49 | Approved · locked | CRV-2026-00540-007 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004027-01 | 23.0 | 97.7 | 2026-09-08 |
Calculated properties
- MW (g/mol)
- 315.4≤ 500
- cLogP
- 2.48≤ 4
- TPSA (Ų)
- 92.260–110 Ų
- HBD
- 2
- HBA
- 6
- Rotatable bonds
- 3
- Aromatic rings
- 3
- Heavy atoms
- 22
- Fsp³
- 0.07
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.26≤ 5
- Solubility (µM)
- 32.8≥ 50 µM
- Clint (µL/min/mg)
- 12.0≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 11.1
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004027
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