KH7   Click here for help

GtoPdb Ligand ID: 10216

Synonyms: KH 7 | KH-7
Antimalarial Ligand
Compound class: Synthetic organic
Comment: KH7 is a soluble adenylyl cyclase inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 115.67
Molecular weight 418.01
XLogP 4.23
No. Lipinski's rules broken 0
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Canonical SMILES Brc1ccc(c(c1)C=NNC(=O)C(Sc1nc2c([nH]1)cccc2)C)O
Isomeric SMILES Brc1ccc(c(c1)/C=N/NC(=O)C(Sc1nc2c([nH]1)cccc2)C)O
InChI InChI=1S/C17H15BrN4O2S/c1-10(25-17-20-13-4-2-3-5-14(13)21-17)16(24)22-19-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,20,21)(H,22,24)/b19-9+
1. Hess KC, Jones BH, Marquez B, Chen Y, Ord TS, Kamenetsky M, Miyamoto C, Zippin JH, Kopf GS, Suarez SS et al.. (2005)
The "soluble" adenylyl cyclase in sperm mediates multiple signaling events required for fertilization.
Dev Cell, 9 (2): 249-59. [PMID:16054031]
2. Salazar E, Bank EM, Ramsey N, Hess KC, Deitsch KW, Levin LR, Buck J. (2012)
Characterization of Plasmodium falciparum adenylyl cyclase-β and its role in erythrocytic stage parasites.
PLoS One, 7 (6): e39769. [PMID:22761895]