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Compound Detail

CHEMBL65785

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Cc1cc(C)c(NC(=O)c2ccc3[nH]c(NC(=O)OC(C)(C)C)nc3c2)c(C)c1

Basic Information

ChEMBL ID CHEMBL65785
Phase Preclinical
Structure Type MOL
InChI Key DVMZOFCNOFJNSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.09
ALogP
4
HBA
3
HBD
96.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O3
MW 394.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Lck
CHEMBL258
IC50 5.49 5.49 3230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12798323 10.1016/s0960-894x(03)00380-9 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine