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Compound Detail

CHEMBL585574

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Cc1nc2ccccc2n1-c1ccnc(N[C@@H](C)c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL585574
Phase Preclinical
Structure Type MOL
InChI Key GZYNVKLRWZHXFL-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.30
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5
MW 329.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.50

Literature References

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

Data from ChEMBL 36 via Core Engine