AFN-003922
testedSeries B · 4-anilinoquinazolinesC19H18ClN5O1 batch · 3 results
Structure
- Canonical SMILES
- C=CC(=O)Nc1cc2c(Nc3ccc(N(C)C)cc3)ncnc2cc1Cl
- Formula
- C19H18ClN5O
- InChIKey
- ATZSSMUDWJEMFK-UHFFFAOYSA-N
- Series
- B · 4-anilinoquinazolines
- R1
- NMe2
- R6
- acrylamido
- R7
- Cl
- Registered
- 2026-06-01 09:00:00 UTC by hnakamura
Assay results
| Assay | Target | pIC50 | Fit | Curve |
|---|---|---|---|---|
| ASY-EGFR-TM-03 | EGFR L858R/T790M | 7.53 | Approved · locked | CRV-2026-00434-020 |
| ASY-EGFR-WT-02 | EGFR WT | 8.19 | Approved · locked | CRV-2026-00470-020 |
| ASY-H1975-01 | H1975 cells | 6.69 | Approved · locked | CRV-2026-00538-004 |
Batches
| Batch | Amount (mg) | Purity (%) | Made on |
|---|---|---|---|
| AFN-003922-01 | 7.3 | 95.1 | 2026-09-24 |
Calculated properties
- MW (g/mol)
- 367.8≤ 500
- cLogP
- 4.22≤ 4
- TPSA (Ų)
- 70.260–110 Ų
- HBD
- 2
- HBA
- 5
- Rotatable bonds
- 5
- Aromatic rings
- 3
- Heavy atoms
- 26
- Fsp³
- 0.10
RDKit 2025.09.2, offline at build time. Amber marks a value outside its MPO threshold.
ADMET (pred.)
- hERG pIC50
- 5.17≤ 5
- Solubility (µM)
- 6.9≥ 50 µM
- Clint (µL/min/mg)
- 29.4≤ 20
- Caco-2 Papp (×10⁻⁶ cm/s)
- 10.4
affinis-mock-admet 0.1.0 — a simulated model, deterministic in the structure. No value here was measured.
Audit trail — AFN-003922
Nothing has been done to this record since the library was loaded. A registration, or a correction to one, is written here with its actor and the UTC time.