AFN-004097
testedSeries B · 4-anilinoquinazolinesC24H29N5O51 batch · 3 results
Structure
- Canonical SMILES
- COCCOc1cc2c(Nc3ccc(C(N)=O)cc3)ncnc2cc1OCCN1CCOCC1
- Formula
- C24H29N5O5
- InChIKey
- XKQCIUYQSKRDGJ-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- CONH2
- R6
- OCH2CH2OMe
- 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 | 6.82 | Approved · locked | CRV-2026-00436-016 |
| ASY-EGFR-WT-02 | EGFR WT | 8.30 | Approved · locked | CRV-2026-00472-016 |
| ASY-H1975-01 | H1975 cells | 5.74 | Approved · locked | CRV-2026-00541-008 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-004097-01 | 37.4 | 96.7 | 2026-09-15 |
Calculated properties
- MW (g/mol)
- 467.5≤ 500
- cLogP
- 2.21≤ 4
- TPSA (Ų)
- 121.160–110 Ų
- HBD
- 2
- HBA
- 9
- Rotatable bonds
- 11
- Aromatic rings
- 3
- Heavy atoms
- 34
- Fsp³
- 0.38
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 3.71≤ 5
- Solubility (µM)
- 42.0≥ 50 µM
- Clint (µL/min/mg)
- 11.8≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 6.6
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-004097
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