AFN-003677
testedSeries B · 4-anilinoquinazolinesC19H15F3N4O21 batch · 3 results
Structure
- Canonical SMILES
- C=CC(=O)Nc1cc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2cc1OC
- Formula
- C19H15F3N4O2
- InChIKey
- IAKXJNCTLRXOBT-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- CF3
- R6
- acrylamido
- 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 | 8.07 | Approved · locked | CRV-2026-00432-020 |
| ASY-EGFR-WT-02 | EGFR WT | 8.27 | Approved · locked | CRV-2026-00468-020 |
| ASY-H1975-01 | H1975 cells | 6.86 | Approved · locked | CRV-2026-00534-004 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003677-01 | 9.4 | 97.7 | 2026-07-19 |
Calculated properties
- MW (g/mol)
- 388.4≤ 500
- cLogP
- 4.53≤ 4
- TPSA (Ų)
- 76.160–110 Ų
- HBD
- 2
- HBA
- 5
- Rotatable bonds
- 5
- Aromatic rings
- 3
- Heavy atoms
- 28
- Fsp³
- 0.10
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.12≤ 5
- Solubility (µM)
- 6.1≥ 50 µM
- Clint (µL/min/mg)
- 36.0≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 12.3
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003677
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.