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Compound Detail

CHEMBL5806424

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Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5806424
Phase Preclinical
Structure Type MOL
InChI Key MXWXZHZCHDTIOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.7
MW (Da)
4.18
ALogP
8
HBA
1
HBD
99.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N5O3S2
MW 535.70
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 35.0 nM 7.46 Biomol Green Assay: Biomol Green (Enzo) is a bioluminescent, homogeneous assay t... -

Data from ChEMBL 36 via Core Engine