PF-07038124   Click here for help

GtoPdb Ligand ID: 11950

Synonyms: Example 4 [US2020108083A1] | PF07038124
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PF-07038124 is a topically administered PDE4 inhibitor that was developed as a treatment for atopic dermatitis and psoriasis. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. This chemical structure is claimed as Example 4 in Pfizer's patent US2020108083A1 [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 60.81
Molecular weight 327.16
XLogP 2.61
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(C1)O
Isomeric SMILES CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(O)C1
InChI InChI=1S/C18H22BNO4/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3/t16-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Example 4 [US2020108083A1] | PF07038124
Database Links Click here for help
GtoPdb PubChem SID 461663505
PubChem CID 148293990
Search Google for chemical match using the InChIKey KXVKOYCGACSUPP-INIZCTEOSA-N
Search Google for chemicals with the same backbone KXVKOYCGACSUPP
UniChem Compound Search for chemical match using the InChIKey KXVKOYCGACSUPP-INIZCTEOSA-N
UniChem Connectivity Search for chemical match using the InChIKey KXVKOYCGACSUPP-INIZCTEOSA-N