AFN-004152
testedSeries B · 4-anilinoquinazolinesC23H23FN4O21 batch · 3 results
Structure
- Canonical SMILES
- C#Cc1ccc(Nc2ncnc3cc(F)c(OCCCN4CCOCC4)cc23)cc1
- Formula
- C23H23FN4O2
- InChIKey
- ZWVYRCSRLCTCEY-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- ethynyl
- R6
- O(CH2)3-morpholino
- R7
- F
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 6.93 | Approved · locked | CRV-2026-00436-024 |
| ASY-EGFR-WT-02 | EGFR WT | 8.06 | Approved · locked | CRV-2026-00472-024 |
| ASY-H1975-01 | H1975 cells | 5.91 | Approved · locked | CRV-2026-00542-008 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004152-01 | 27.4 | 99.9 | 2026-08-10 |
Calculated properties
- MW (g/mol)
- 406.5≤ 500
- cLogP
- 3.59≤ 4
- TPSA (Ų)
- 59.560–110 Ų
- HBD
- 1
- HBA
- 6
- Rotatable bonds
- 7
- Aromatic rings
- 3
- Heavy atoms
- 30
- Fsp³
- 0.30
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.65≤ 5
- Solubility (µM)
- 11.1≥ 50 µM
- Clint (µL/min/mg)
- 17.6≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 17.3
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004152
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.