Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5085712

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1CCC(N2C(=O)c3cccc(NCCNC(=O)C4CCN(c5ccc(NC(=O)c6cnc(Oc7ccccc7)nc6)cc5)CC4)c3C2=O)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5085712
Phase Preclinical
Structure Type MOL
InChI Key XYDUYJWZDLHWDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

716.8
MW (Da)
3.37
ALogP
11
HBA
4
HBD
192.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H36N8O7
MW 716.76
Aromatic Rings 4
Heavy Atoms 53
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
34652145 10.1021/acs.jmedchem.1c01206 Hematopoietic prostaglandin D synthase 1

Data from ChEMBL 36 via Core Engine