AFN-003899
testedSeries B · 4-anilinoquinazolinesC18H20N4O21 batch · 3 results
Structure
- Canonical SMILES
- CCOc1cc2c(Nc3ccc(N(C)C)cc3)ncnc2cc1O
- Formula
- C18H20N4O2
- InChIKey
- PGIFSTHXCZQQHS-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- NMe2
- R6
- OEt
- 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 | 6.50 | Rejected | CRV-2026-00434-017 |
| ASY-EGFR-WT-02 | EGFR WT | 8.14 | Approved · locked | CRV-2026-00470-017 |
| ASY-H1975-01 | H1975 cells | 5.75 | Approved · locked | CRV-2026-00538-001 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003899-01 | 19.4 | 99.7 | 2026-07-27 |
Calculated properties
- MW (g/mol)
- 324.4≤ 500
- cLogP
- 3.54≤ 4
- TPSA (Ų)
- 70.560–110 Ų
- HBD
- 2
- HBA
- 6
- Rotatable bonds
- 5
- Aromatic rings
- 3
- Heavy atoms
- 24
- Fsp³
- 0.22
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)
- 10.4≥ 50 µM
- Clint (µL/min/mg)
- 18.3≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 13.8
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003899
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