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

CHEMBL541395

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
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)O)Cc2ccccc2)cs1)C(C)C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL541395
Phase Preclinical
Structure Type MOL
InChI Key WFNNXGBSXHNRPK-BKPBABOASA-N
Parent Compound CHEMBL1190708
Active Moiety CHEMBL1190708
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

641.8
MW (Da)
3.74
ALogP
8
HBA
5
HBD
166.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H48ClN5O6S
MW 678.30
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
18411048 10.1016/j.bmcl.2008.03.046 1A9 1
18411048 10.1016/j.bmcl.2008.03.046 Unchecked 1

Data from ChEMBL 36 via Core Engine