MDMB-Fubinaca

Ligand id: 10178

Name: MDMB-Fubinaca

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 73.22
Molecular weight 397.18
XLogP 4.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoate
Synonyms
Fub-mdmb | Mdmb-bz-F | Mdmb-fub
Comments
MDMB-Fubinaca is an extremely potent, synthetic cannabinoid CB1/CB2 receptor agonist [2]. Cryo-EM of the ligand-receptor complex shows that it locks the CB1 receptor in an active conformation [1].
Database Links
GtoPdb PubChem SID 381118888
PubChem CID 119025665
RCSB PDB Ligand KCA
Search Google for chemical match using the InChIKey RFCDVEHNYDVCMU-LJQANCHMSA-N
Search Google for chemicals with the same backbone RFCDVEHNYDVCMU
Search UniChem for chemical match using the InChIKey RFCDVEHNYDVCMU-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone RFCDVEHNYDVCMU