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

CHEMBL3665979

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
Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccno5)[nH]c4C)ccc3[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3665979
Phase Preclinical
Structure Type MOL
InChI Key MZWABMLKERRCLG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.14
ALogP
7
HBA
3
HBD
138.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N7O3
MW 403.40
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Collagenase 3
CHEMBL3638350
 IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Collagenase 3 IC50 = 0.7 nM 9.15 Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can dete... -

Data from ChEMBL 36 via Core Engine