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Compound Detail

CHEMBL5964796

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Cc1ncc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1

Basic Information

ChEMBL ID CHEMBL5964796
Phase Preclinical
Structure Type MOL
InChI Key CVBIMFBJMCNIFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.92
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5OS
MW 315.40
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tissue-type plasminogen activator
CHEMBL1873
IC50 8.09 8.09 8.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine