Compound Selection

Formula: C10H13NO2

MW: 179.22

TNP NUMBER: TNP00268

MDL NUMBER: MFCD00006298

IUPAC: 5-butylpyridine-2-carboxylic acid

Smiles: n1c(C(=O)O)ccc(c1)CCCC

THERAPEUTIC CATEGORY: Antibiotic

REFERENCE: Wang, H. and Ng, T.B.,, Pharmacological activities of fusaric acid (5-butylpicolinic acid). Life Sci. 65, 849, (1999) abstract Bencsics, A., et al., Dopamine, as well as norepinephrine, is a link between noradrenergic nerve terminals and splenocytes. Brain Res. 761, 236-243, (1997) abstract Baillien, M., et al., Regional distribution and control of tyrosine hydroxylase activity in the quail brain. Brain Res. Bull. 48, 31-37, (1999) abstract Merck Merck 13,4335

SOURCE: Fusaric acid from Gibberella fujikuroi

ACCEPTORS: 2

DONORS: 1

ROTATION BONDS: 5

N+O: 3

Chiral Centers: 0

LogP: 2.32

LogS: -3.33

LIPINSKI: 4

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