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

CHEMBL373285

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=C(CNS(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373285
Phase Preclinical
Structure Type MOL
InChI Key FFSKFUZCVRDIKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
0.06
ALogP
7
HBA
3
HBD
125.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N5O5S
MW 395.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.57

Activity Summary

Ki 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interstitial collagenase
CHEMBL332
 Ki 6.65 6.65 224.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interstitial collagenase Ki = 224.0 nM 6.65 Binding affinity towards (MMP-1) matrix metalloprotease-1 16220975

Literature References

PubMed DOI Target Context # Activities
16220975 10.1021/jm050196j Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine