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

CHEMBL4161525

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
Nc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(NC3CCCCC3)cc2)CCC2(CCNCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161525
Phase Preclinical
Structure Type MOL
InChI Key HLJIPRUVTCWCEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

510.7
MW (Da)
4.72
ALogP
6
HBA
4
HBD
113.3
PSA (Ų)
0.42
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 C28H38N4O3S
MW 510.70
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
29795754 10.1021/acsmedchemlett.7b00549 Stromelysin-2 1
29795754 10.1021/acsmedchemlett.7b00549 Blood 1
29795754 10.1021/acsmedchemlett.7b00549 Stromelysin-1 1
29795754 10.1021/acsmedchemlett.7b00549 THLE-2 1
29795754 10.1021/acsmedchemlett.7b00549 No relevant target 1
29795754 10.1021/acsmedchemlett.7b00549 Mus musculus 1
29795754 10.1021/acsmedchemlett.7b00549 ADMET 1

Data from ChEMBL 36 via Core Engine