AFN-003845
testedSeries B · 4-anilinoquinazolinesC18H16N4O21 batch · 3 results
Structure
- Canonical SMILES
- CCOc1cc2c(Nc3ccc(C#N)cc3)ncnc2cc1OC
- Formula
- C18H16N4O2
- InChIKey
- CFXQDXKXTQENKG-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- CN
- R6
- OEt
- R7
- OMe
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 7.27 | Approved · locked | CRV-2026-00434-011 |
| ASY-EGFR-WT-02 | EGFR WT | 8.33 | Approved · locked | CRV-2026-00470-011 |
| ASY-H1975-01 | H1975 cells | 6.04 | Approved · locked | CRV-2026-00537-003 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003845-01 | 10.3 | 95.2 | 2026-10-28 |
Calculated properties
- MW (g/mol)
- 320.4≤ 500
- cLogP
- 3.65≤ 4
- TPSA (Ų)
- 80.160–110 Ų
- HBD
- 1
- HBA
- 6
- Rotatable bonds
- 5
- Aromatic rings
- 3
- Heavy atoms
- 24
- Fsp³
- 0.17
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.45≤ 5
- Solubility (µM)
- 19.1≥ 50 µM
- Clint (µL/min/mg)
- 23.9≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 14.1
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003845
Nothing has been done to this record since the library was loaded. A registration, or a correction to one, is written here with its actor and the UTC time.