AFN-003671
testedSeries B · 4-anilinoquinazolinesC25H29F3N4O41 batch · 3 results
Structure
- Canonical SMILES
- COCCOc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1OCCCN1CCOCC1
- Formula
- C25H29F3N4O4
- InChIKey
- SXKPMHBBWUGREQ-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- CF3
- 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 | 7.09 | Approved · locked | CRV-2026-00432-018 |
| ASY-EGFR-WT-02 | EGFR WT | 8.35 | Approved · locked | CRV-2026-00468-018 |
| ASY-H1975-01 | H1975 cells | 6.21 | Approved · locked | CRV-2026-00534-002 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003671-01 | 28.7 | 99.8 | 2026-08-24 |
Calculated properties
- MW (g/mol)
- 506.5≤ 500
- cLogP
- 4.52≤ 4
- TPSA (Ų)
- 78.060–110 Ų
- HBD
- 1
- HBA
- 8
- Rotatable bonds
- 11
- Aromatic rings
- 3
- Heavy atoms
- 36
- Fsp³
- 0.44
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.35≤ 5
- Solubility (µM)
- 4.9≥ 50 µM
- Clint (µL/min/mg)
- 45.9≤ 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-003671
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