Compound 2 (covalent noradrenaline analog) [511715]



Compound 2 (covalent noradrenaline analog)


SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCS
InChIKey ABMSPPLJHILUDP-KRWDZBQOSA-N

Chemical Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 10
Log P 2.281
Molecular weight (Da) 379.1
Stereochemistry info full

Database connections

Structure pdb 4QKX

No bioactivity data available.

Compound 2 (covalent noradrenaline analog)


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 4QKX

Compound is not listed as a drug.