| Compound Information | SONAR Target prediction | | Name: | AMINOPTERIN | | Unique Identifier: | SPE01500679 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 420.254 g/mol | | X log p: | 5.705 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 100.65 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 13 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 | | Source: | synthetic; NSC-739 | | Therapeutics: | antineoplastic, antirheumatic, folic acid antagonist |
| Species: |
4932 |
| Condition: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5998±0.033234 |
| Normalized OD Score: sc h |
0.9247±0.0134237 |
| Z-Score: |
-3.2175±0.598958 |
| p-Value: |
0.00273928 |
| Z-Factor: |
-1.13075 |
| Fitness Defect: |
5.9001 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.80 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0422±0.00023 | | Plate DMSO Control (-): | 0.6217250000000001±0.02032 | | Plate Z-Factor: | 0.8929 |
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| DBLink | Rows returned: 6 | |
| 2154 |
2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| 24194 |
disodium 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate |
| 169370 |
disodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate |
| 169371 |
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| 3032277 |
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| 6337177 |
2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; sodium |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 5590 | Additional Members: 8 | Rows returned: 0 | |
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