| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 23 | No |
Popular Name: Trifluralin Trifluralin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1582-09-8 , 8/9/1582 , [1582-09-8]
(2,6-Dinitro-4-trifluoromethyl-phenyl)-dipropyl-amine
1582-09-8; 2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline; C14343; Trifluralin
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.47 | 11.44 | -4.17 | 0 | 7 | 0 | 95 | 335.282 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | herbicide | SMDC MicroSource |
| mechanism | Reported to bind specifically to Leishmania tubulin | IBScreen Bioactives |
| mechanism | Reported to inhibit selectively differentiation of Leishmania mexicana amazonensis in-vitro | IBScreen Bioactives |
| mechanism | Selective inhibitor of proliferation of Leishmania mexicana amazonensis in-vitro | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Selective preemergent herbicide | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-1-E | Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1320 | 0.36 | Binding ≤ 10μM |
| Z102116-1-O | Toxoplasma Gondii RH (cluster #1 Of 2), Other | Other | 5300 | 0.32 | Functional ≤ 10μM |
| Z50424-1-O | Cryptosporidium Parvum (cluster #1 Of 2), Other | Other | 750 | 0.37 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 2900 | 0.34 | Functional ≤ 10μM |
| Z50472-1-O | Toxoplasma Gondii (cluster #1 Of 4), Other | Other | 650 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 1320 | 0.36 | Binding ≤ 10μM |
| Z50424 | Z50424 | Cryptosporidium Parvum | 1940 | 0.35 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2900 | 0.34 | Functional ≤ 10μM |
| Z50472 | Z50472 | Toxoplasma Gondii | 650 | 0.38 | Functional ≤ 10μM |
| Z102116 | Z102116 | Toxoplasma Gondii RH | 1800 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.