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Compound Detail

CHEMBL1509670

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CCOc1ccc2[nH]c(NCCO)nc2c1

Basic Information

ChEMBL ID CHEMBL1509670
Phase Preclinical
Structure Type MOL
InChI Key WBOZZYVRQGMWHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.37
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.71
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 C11H15N3O2
MW 221.26
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.28

Activity Summary

EC50 1 meas. best 6.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.69 6.69 205.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 205.0 nM 6.69 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... -

Data from ChEMBL 36 via Core Engine