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: |
FUR4 |
Replicates: |
2 |
Raw OD Value: r im |
0.5525±0.0707814 |
Normalized OD Score: sc h |
1.1969±0.10701 |
Z-Score: |
4.9568±1.90153 |
p-Value: |
0.000151811 |
Z-Factor: |
-2.72313 |
Fitness Defect: |
8.7929 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|H7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2006-03-22 YYYY-MM-DD | Plate CH Control (+): | 0.03925±0.00267 | Plate DMSO Control (-): | 0.55155±0.07130 | Plate Z-Factor: | 0.5136 |
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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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