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

CHEMBL307089

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
N=C(N)N1CCC(C[C@H]2C(=O)N(C(=O)Nc3ccccc3)[C@@H]2C(=O)O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307089
Phase Preclinical
Structure Type MOL
InChI Key NTACNIGASKYVDY-KGLIPLIRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
1.13
ALogP
4
HBA
4
HBD
139.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O4
MW 373.41
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tryptase
CHEMBL2095193
 IC50 6.29 6.29 515.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tryptase IC50 = 515.0 nM 6.29 Inhibitory activity of compound against human tryptase was determined 15081014

Literature References

PubMed DOI Target Context # Activities
15081014 10.1016/j.bmcl.2004.02.011 Tryptase 1

Data from ChEMBL 36 via Core Engine