AFN-001095
testedSeries A · 2-anilino-4-arylpyrimidinesC23H24N41 batch · 3 results
Structure
- Canonical SMILES
- Cc1cnc(Nc2ccc(C(C)C)cc2)nc1-c1cn(C)c2ccccc12
- Formula
- C23H24N4
- InChIKey
- NCNIOWKPJMFCMU-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- iPr
- R2
- Me
- Ar
- 1-Me-indol-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 | 7.27 | Approved · locked | CRV-2026-00407-027 |
| ASY-EGFR-WT-02 | EGFR WT | 6.04 | Approved · locked | CRV-2026-00446-027 |
| ASY-H1975-01 | H1975 cells | 6.69 | Approved · locked | CRV-2026-00491-003 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-001095-01 | 22.0 | 97.1 | 2026-10-05 |
Calculated properties
- MW (g/mol)
- 356.5≤ 500
- cLogP
- 5.81≤ 4
- TPSA (Ų)
- 42.760–110 Ų
- HBD
- 1
- HBA
- 4
- Rotatable bonds
- 4
- Aromatic rings
- 4
- Heavy atoms
- 27
- Fsp³
- 0.22
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.57≤ 5
- Solubility (µM)
- 1.4≥ 50 µM
- Clint (µL/min/mg)
- 78.1≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 21.0
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-001095
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