Antileishmanial compounds

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).

For other toxicity and effect values, such as mammalian (rat/mouse) oral LD50, intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-OMAR, TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME / SMILES CAS FORMULA MWTerraQSAR - LOGP
glucantime; meglumine antimoniate 133-51-7 C7H20NO9Sb 383.98
-2.91
pentostam; sodium stibogluconate 16037-91-5 C12H16Na3O17Sb2 744.71
-1.91
Clc1ccccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncn4   C18H14BrClN4 401.70
2.46
Fc1ccccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncn4   C18H14BrFN4 385.24
2.29
c1cc(F)ccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncn4   C18H14BrFN4 385.24
2.29
Brc1ccccc1Cn2c3ccccc3c(c2)Cn4cncn4   C18H15BrN4 367.25
2.26
c1cc(Br)ccc1Cn2c3ccccc3c(c2)Cn4cncn4   C18H15BrN4 367.25
2.26
Clc1ccccc1Cn2c3ccccc3c(c2)Cn4cncn4   C18H15ClN4 322.80
2.26
c1cc(Cl)ccc1Cn2c3ccccc3c(c2)Cn4cncn4   C18H15ClN4 322.80
2.26
Fc1ccccc1Cn2c3ccccc3c(c2)Cn4cncn4   C18H15FN4 306.34
2.19
Clc1cc(Cl)ccc1Cn2c3ccc(F)cc3c(c2)Cn4cncc4   C19H14Cl2FN3 374.25
3.58
c1cc(Cl)ccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncc4   C19H15BrClN3 400.71
3.36
Clc1ccccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncc4   C19H15BrClN3 400.71
3.36
c1cc(F)ccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncc4   C19H15BrFN3 384.26
3.69
Fc1ccccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncc4   C19H15BrFN3 384.26
3.69
c1cc(Br)ccc1Cn2c3ccc(F)cc3c(c2)Cn4cncc4   C19H15BrFN3 384.26
3.69
c1cc(Cl)ccc1Cn2c3ccc(F)cc3c(c2)Cn4cncc4   C19H15ClFN3 339.80
3.54
c1cc(Cl)ccc1Cn2c3ccc(Cl)cc3c(c2)Cn4cncc4   C19H15Cl2N3 356.26
3.40
c1cc(F)ccc1Cn2c3ccc(F)cc3c(c2)Cn4cncc4   C19H15F2N3 323.35
4.35
c1c(Br)cccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16BrN3 366.27
3.07
c1cc(Br)ccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16BrN3 366.27
3.07
c1c(Cl)cccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16ClN3 321.81
3.03
c1cc(Cl)ccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16ClN3 321.81
3.03
Clc1ccccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16ClN3 321.81
3.03
c1c(F)cccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16FN3 305.36
3.54
Fc1ccccc1Cn2c3ccccc3c(c2)Cn4cncc4   C19H16FN3 305.36
3.54
c1cc(C#N)ccc1Cn2c3ccc(Br)cc3c(c2)Cn4cncc4   C20H15BrN4 391.28
3.75
c1c(Br)cccc1Cn2c3ccccc3c(c2C)Cn4cncc4   C20H18BrN3 380.29
3.37
c1cc(Br)ccc1Cn2c3ccccc3c(c2C)Cn4cncc4   C20H18BrN3 380.29
3.37
c1cc(Cl)ccc1Cn2c3ccccc3c(c2C)Cn4cncc4   C20H18ClN3 335.84
3.29
c1cc(F)ccc1Cn2c3ccc(OC)cc3c(c2)Cn4cncc4   C20H18FN3O 335.38
4.36
Fc1ccc(F)ccc1Cn2c3ccccc3c(c2)Cn4cncc4   C20H23F2N3 343.42
4.72
miltefosine [zwitter ion] 58066-85-6 C21H46NO4P 407.58
3.47
c1cc(C(C)(C)C)ccc1Cn2c3ccccc3c(c2)Cn4cncc4   C23H25N3 343.47
3.86
ketoconazole 65277-42-1 C26H28Cl2N4O4 531.44
4.34


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