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Compound Detail

CHEMBL1536905

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Cc1ccc2c(CN3CCN(CCO)CC3)cc(=O)oc2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1536905
Phase Preclinical
Structure Type MOL
InChI Key WUYMVPQVSJNPMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
1.52
ALogP
5
HBA
1
HBD
56.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O3
MW 316.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.84

Activity Summary

EC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 19.0 nM 7.72 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine