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Compound Detail

CHEMBL5876499

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CNC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5876499
Phase Preclinical
Structure Type MOL
InChI Key FCYWARKMMNUOKA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
4.29
ALogP
8
HBA
1
HBD
91.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O3S
MW 477.59
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 26.0 nM 7.58 Biomol Green Assay: Biomol Green (Enzo) is a bioluminescent, homogeneous assay t... -

Data from ChEMBL 36 via Core Engine