AFN-004153
testedSeries B · 4-anilinoquinazolinesC29H35N5O41 batch · 3 results
Structure
- Canonical SMILES
- C#Cc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(OCCCN4CCOCC4)cc23)cc1
- Formula
- C29H35N5O4
- InChIKey
- IIBJGMXIUJFJRX-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- ethynyl
- R6
- O(CH2)3-morpholino
- R7
- O(CH2)2-morpholino
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 7.07 | Approved · locked | CRV-2026-00436-025 |
| ASY-EGFR-WT-02 | EGFR WT | 8.48 | Approved · locked | CRV-2026-00472-025 |
| ASY-H1975-01 | H1975 cells | 6.24 | Approved · locked | CRV-2026-00543-001 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004153-01 | 27.6 | 99.5 | 2026-06-04 |
Calculated properties
- MW (g/mol)
- 517.6≤ 500
- cLogP
- 3.17≤ 4
- TPSA (Ų)
- 81.260–110 Ų
- HBD
- 1
- HBA
- 9
- Rotatable bonds
- 11
- Aromatic rings
- 3
- Heavy atoms
- 38
- Fsp³
- 0.45
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.11≤ 5
- Solubility (µM)
- 13.2≥ 50 µM
- Clint (µL/min/mg)
- 24.5≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 11.9
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004153
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