AFN-003466
testedSeries B · 4-anilinoquinazolinesC16H13BrClN3O1 batch · 3 results
Structure
- Canonical SMILES
- CCOc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1Cl
- Formula
- C16H13BrClN3O
- InChIKey
- OEVLLGOQSNVOOM-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- Br
- R6
- OEt
- R7
- Cl
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 6.60 | Approved · locked | CRV-2026-00430-017 |
| ASY-EGFR-WT-02 | EGFR WT | 8.19 | Approved · locked | CRV-2026-00466-017 |
| ASY-H1975-01 | H1975 cells | 5.95 | Approved · locked | CRV-2026-00530-001 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003466-01 | 37.8 | 97.5 | 2026-06-03 |
Calculated properties
- MW (g/mol)
- 378.7≤ 500
- cLogP
- 5.19≤ 4
- TPSA (Ų)
- 47.060–110 Ų
- HBD
- 1
- HBA
- 4
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 22
- Fsp³
- 0.13
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.54≤ 5
- Solubility (µM)
- 2.1≥ 50 µM
- Clint (µL/min/mg)
- 42.7≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 16.3
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003466
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