AFN-003767
testedSeries B · 4-anilinoquinazolinesC26H34N4O51 batch · 3 results
Structure
- Canonical SMILES
- CCOc1ccc(Nc2ncnc3cc(OCCOC)c(OCCCN4CCOCC4)cc23)cc1
- Formula
- C26H34N4O5
- InChIKey
- XTPJYGMPRYPANB-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- OEt
- R6
- O(CH2)3-morpholino
- R7
- OCH2CH2OMe
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 7.00 | Approved · locked | CRV-2026-00434-001 |
| ASY-EGFR-WT-02 | EGFR WT | 8.41 | Approved · locked | CRV-2026-00470-001 |
| ASY-H1975-01 | H1975 cells | 6.30 | Approved · locked | CRV-2026-00536-001 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003767-01 | 44.4 | 95.2 | 2026-10-08 |
Calculated properties
- MW (g/mol)
- 482.6≤ 500
- cLogP
- 3.90≤ 4
- TPSA (Ų)
- 87.260–110 Ų
- HBD
- 1
- HBA
- 9
- Rotatable bonds
- 13
- Aromatic rings
- 3
- Heavy atoms
- 35
- Fsp³
- 0.46
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.66≤ 5
- Solubility (µM)
- 7.3≥ 50 µM
- Clint (µL/min/mg)
- 40.2≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 9.6
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003767
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