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Compound Detail

CHEMBL3893495

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COC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1

Basic Information

ChEMBL ID CHEMBL3893495
Phase Preclinical
Structure Type MOL
InChI Key KVUCECVNHKHMIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
3.50
ALogP
9
HBA
1
HBD
95.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N4O4S
MW 380.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine