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
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
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
Search Google for chemical match using the InChIKey DOIXLDJOYNGJJP-SMIGQZBFSA-N
Search Google for chemicals with the same backbone DOIXLDJOYNGJJP
Search PubMed clinical trials colforsin
Search PubMed titles colforsin
Search PubMed titles/abstracts colforsin
UniChem Compound Search for chemical match using the InChIKey DOIXLDJOYNGJJP-SMIGQZBFSA-N
UniChem Connectivity Search for chemical match using the InChIKey DOIXLDJOYNGJJP-SMIGQZBFSA-N