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Compound Detail

CHEMBL3898860

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COC(=N)c1nc2ccc3ncnc(Nc4ccc5c(c4)CCO5)c3c2s1

Basic Information

ChEMBL ID CHEMBL3898860
Phase Preclinical
Structure Type MOL
InChI Key SBCKKDYXKNHALW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.89
ALogP
8
HBA
2
HBD
93.0
PSA (Ų)
0.42
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 C19H15N5O2S
MW 377.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 7.76 7.76 17.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine