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Compound Detail

CHEMBL1603691

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CCCCN(C)C(=O)c1cc2cc3ccc(OC)cc3nc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1603691
Phase Preclinical
Structure Type MOL
InChI Key ICQXRYWBJLBQHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.33
ALogP
4
HBA
0
HBD
42.4
PSA (Ų)
0.70
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 C18H20N2O2S
MW 328.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.65

Activity Summary

EC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
 EC50 5.44 5.44 3610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid EC50 = 3610.0 nM 5.44 PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... -

Data from ChEMBL 36 via Core Engine