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Compound Detail

CHEMBL1609759

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C(=C/c1ccccc1)\CN1CCN(c2ncnc3c2oc2ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL1609759
Phase Preclinical
Structure Type MOL
InChI Key IUDWSLXQPWPEIJ-RMKNXTFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.21
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.54
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 C23H22N4O
MW 370.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.93

Activity Summary

EC50 1 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.39 7.39 41.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 41.0 nM 7.39 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -

Data from ChEMBL 36 via Core Engine