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Compound Detail

CHEMBL572095

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CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CN(C(=O)Nc2cccc3ccccc23)CCN1C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL572095
Phase Preclinical
Structure Type MOL
InChI Key GLMGQTWNDCMBGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

626.7
MW (Da)
6.32
ALogP
8
HBA
2
HBD
117.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H34N8O3
MW 626.72
Aromatic Rings 6
Heavy Atoms 47
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
19674899 10.1016/j.bmcl.2009.07.102 Jurkat 1
19674899 10.1016/j.bmcl.2009.07.102 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine