AFN-002790
testedSeries A · 2-anilino-4-arylpyrimidinesC18H11F2N5O1 batch · 3 results
Structure
- Canonical SMILES
- N#Cc1cnc(Nc2ccc(C(N)=O)cc2)nc1-c1cc(F)cc(F)c1
- Formula
- C18H11F2N5O
- InChIKey
- FKPOVPSNSLZSBE-UHFFFAOYSA-N
- Series
- A · 2-anilino-4-arylpyrimidines
- R1
- CONH2
- R2
- CN
- Ar
- 3,5-diF-phenyl
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 7.19 | Approved · locked | CRV-2026-00424-019 |
| ASY-EGFR-WT-02 | EGFR WT | 5.67 | Approved · locked | CRV-2026-00460-019 |
| ASY-H1975-01 | H1975 cells | 6.36 | Approved · locked | CRV-2026-00518-003 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-002790-01 | 24.4 | 95.2 | 2026-08-24 |
Calculated properties
- MW (g/mol)
- 351.3≤ 500
- cLogP
- 3.14≤ 4
- TPSA (Ų)
- 104.760–110 Ų
- HBD
- 2
- HBA
- 5
- Rotatable bonds
- 4
- Aromatic rings
- 3
- Heavy atoms
- 26
- Fsp³
- 0.00
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 3.92≤ 5
- Solubility (µM)
- 26.6≥ 50 µM
- Clint (µL/min/mg)
- 16.0≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 7.6
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-002790
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