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

CHEMBL306125

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
CCCC1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(O)CC[S+]([O-])CC[C@@H](OC)C[C@@H](C)CC(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306125
Phase Preclinical
Structure Type MOL
InChI Key XYGYIBMZWDIBCG-SPAJHYMYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

706.0
MW (Da)
4.11
ALogP
9
HBA
1
HBD
149.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H59N3O8S
MW 705.96
Aromatic Rings 1
Heavy Atoms 49
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00404-H Peptidyl-prolyl cis-trans isomerase FKBP1A 1
- 10.1016/0960-894X(95)00404-H Protein phosphatase 3 catalytic subunit alpha 1

Data from ChEMBL 36 via Core Engine