AFN-004177
testedSeries B · 4-anilinoquinazolinesC24H28N4O31 batch · 3 results
Structure
- Canonical SMILES
- COc1cc2c(Nc3ccc(C4CC4)cc3)ncnc2cc1OCCN1CCOCC1
- Formula
- C24H28N4O3
- InChIKey
- OHUFDOSVTLPFBX-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- cyclopropyl
- R6
- OMe
- 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 | 6.58 | Approved · locked | CRV-2026-00436-028 |
| ASY-EGFR-WT-02 | EGFR WT | 8.67 | Approved · locked | CRV-2026-00472-028 |
| ASY-H1975-01 | H1975 cells | 5.95 | Rejected | CRV-2026-00543-004 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004177-01 | 29.1 | 97.6 | 2026-10-03 |
Calculated properties
- MW (g/mol)
- 420.5≤ 500
- cLogP
- 3.97≤ 4
- TPSA (Ų)
- 68.760–110 Ų
- HBD
- 1
- HBA
- 7
- Rotatable bonds
- 8
- Aromatic rings
- 3
- Heavy atoms
- 31
- Fsp³
- 0.42
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.58≤ 5
- Solubility (µM)
- 5.9≥ 50 µM
- Clint (µL/min/mg)
- 38.3≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 15.5
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004177
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