AFN-002193
testedSeries A · 2-anilino-4-arylpyrimidinesC18H18N4O21 batch · 3 results
Structure
- Canonical SMILES
- c1cc(-c2ccoc2)nc(Nc2ccc(N3CCOCC3)cc2)n1
- Formula
- C18H18N4O2
- InChIKey
- BIQKTEUNYMLPSJ-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- morpholin-4-yl
- R2
- H
- Ar
- Furan-3-yl
- 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-2026-00415-031 |
| ASY-EGFR-WT-02 | EGFR WT | 5.72 | Approved · locked | CRV-2026-00454-031 |
| ASY-H1975-01 | H1975 cells | 6.00 | Approved · locked | CRV-2026-00507-007 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-002193-01 | 48.6 | 98.8 | 2026-06-11 |
Calculated properties
- MW (g/mol)
- 322.4≤ 500
- cLogP
- 3.32≤ 4
- TPSA (Ų)
- 63.460–110 Ų
- HBD
- 1
- HBA
- 6
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 24
- Fsp³
- 0.22
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 4.57≤ 5
- Solubility (µM)
- 11.6≥ 50 µM
- Clint (µL/min/mg)
- 27.5≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 14.2
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-002193
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