Standard InChI: InChI=1S/C18H8Cl6O3/c19-7-1-2-14(10(21)4-7)27-18-13(24)6-11(22)15(17(18)26)9-3-8(20)5-12(23)16(9)25/h1-6,25-26H
Standard InChI Key: AHLSIYMTIQLHAO-UHFFFAOYSA-N
Associated Targets(non-human)
Escherichia coli 133304 Activities
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Priestia megaterium 1154 Activities
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Microbotryum violaceum 192 Activities
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Aspergillus pseudoglaucus 84 Activities
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Fusarium oxysporum 3998 Activities
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Mycotypha microspora 91 Activities
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[Chlorella] fusca 158 Activities
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Trypanosoma cruzi 99888 Activities
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Trypanosoma brucei rhodesiense 7991 Activities
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Plasmodium falciparum 966862 Activities
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Mycobacterium tuberculosis 203094 Activities
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Biomphalaria glabrata 78 Activities
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L6 7924 Activities
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Molecule Features
Natural Product: Yes
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
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Properties
Molecular Weight: 484.98
Molecular Weight (Monoisotopic): 481.8605
AlogP: 8.48
#Rotatable Bonds: 3
Polar Surface Area: 49.69
Molecular Species: ACID
HBA: 3
HBD: 2
#RO5 Violations: 1
HBA (Lipinski): 3
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 6.47
CX Basic pKa:
CX LogP: 8.14
CX LogD: 7.19
Aromatic Rings: 3
Heavy Atoms: 27
QED Weighted: 0.39
Np Likeness Score: 0.06
References
1.Wright AD, Papendorf O, König GM.. (2005) Ambigol C and 2,4-dichlorobenzoic acid, natural products produced by the terrestrial cyanobacterium Fischerella ambigua., 68 (3):[PMID:15787461][10.1021/np049640w]
