AFN-004143
testedSeries B · 4-anilinoquinazolinesC22H23N3O41 batch · 3 results
Structure
- Canonical SMILES
- C#Cc1ccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc1
- Formula
- C22H23N3O4
- InChIKey
- ULQGUXLVNLHPHK-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- ethynyl
- R6
- OCH2CH2OMe
- 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 | 7.02 | Approved · locked | CRV-2026-00436-022 |
| ASY-EGFR-WT-02 | EGFR WT | 8.42 | Approved · locked | CRV-2026-00472-022 |
| ASY-H1975-01 | H1975 cells | 6.14 | Approved · locked | CRV-2026-00542-006 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004143-01 | 33.4 | 97.3 | 2026-06-14 |
Calculated properties
- MW (g/mol)
- 393.4≤ 500
- cLogP
- 3.41≤ 4
- TPSA (Ų)
- 74.760–110 Ų
- HBD
- 1
- HBA
- 7
- Rotatable bonds
- 10
- Aromatic rings
- 3
- Heavy atoms
- 29
- Fsp³
- 0.27
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.36≤ 5
- Solubility (µM)
- 12.3≥ 50 µM
- Clint (µL/min/mg)
- 23.6≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 13.9
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004143
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