AFN-003307
testedSeries B · 4-anilinoquinazolinesC14H11N3O1 batch · 3 results
Structure
- Canonical SMILES
- Oc1ccc2c(Nc3ccccc3)ncnc2c1
- Formula
- C14H11N3O
- InChIKey
- GXCSYUGOBKAEIV-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- H
- 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 | 5.53 | Approved · locked | CRV-2026-00428-022 |
| ASY-EGFR-WT-02 | EGFR WT | 6.94 | Approved · locked | CRV-2026-00464-022 |
| ASY-H1975-01 | H1975 cells | > 4.64 | Rejected | CRV-2026-00526-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003307-01 | 45.7 | 95.6 | 2026-10-23 |
Calculated properties
- MW (g/mol)
- 237.3≤ 500
- cLogP
- 3.08≤ 4
- TPSA (Ų)
- 58.060–110 Ų
- HBD
- 2
- HBA
- 4
- Rotatable bonds
- 2
- Aromatic rings
- 3
- Heavy atoms
- 18
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.34≤ 5
- Solubility (µM)
- 14.7≥ 50 µM
- Clint (µL/min/mg)
- 26.3≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 15.7
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003307
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