NKH477   Click here for help

GtoPdb Ligand ID: 5232

Synonyms: 6-(3-dimethylaminopropionyl) forskolin hydrochloride | colforsin dapropate hydrochloride | NKH-477
Compound class: Synthetic organic
Comment: NKH477 is a water-soluble adenylyl cyclase activator [1]. It is a derivative of forskolin. NKH477 is used experimentally as the hydrochloride salt. Relative to forskolin, NKH477 activates cardiac adenylyl cyclase more potently than the adenylyl cyclases from other tissues (lung, brain, and kidney) [3].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 119.36
Molecular weight 508.3
XLogP 4.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O
Isomeric SMILES C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O
InChI InChI=1S/C28H44O8/c1-10-25(7)15-19(31)28(33)26(8)18(30)13-14-24(5,6)22(26)21(35-20(32)12-11-16(2)3)23(34-17(4)29)27(28,9)36-25/h10,16,18,21-23,30,33H,1,11-15H2,2-9H3/t18-,21-,22-,23-,25-,26-,27+,28-/m0/s1
InChI Key DOIXLDJOYNGJJP-SMIGQZBFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 4-methylpentanoate
International Nonproprietary Names Click here for help
INN number INN
5326 colforsin
Synonyms Click here for help
6-(3-dimethylaminopropionyl) forskolin hydrochloride | colforsin dapropate hydrochloride | NKH-477
Database Links Click here for help
GtoPdb PubChem SID 178101916
PubChem CID 124010
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