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Compound Detail

CHEMBL5787392

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Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NC(C)C

Basic Information

ChEMBL ID CHEMBL5787392
Phase Preclinical
Structure Type MOL
InChI Key HMVGFRWGQDFPLK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
5.07
ALogP
8
HBA
1
HBD
91.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N5O3S
MW 505.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.67

Activity Summary

IC50 2 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.57 7.535 27.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine