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Compound Detail

CHEMBL577469

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CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CNCCN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577469
Phase Preclinical
Structure Type MOL
InChI Key OOGWZMOXPYAHSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
1.52
ALogP
7
HBA
2
HBD
70.9
PSA (Ų)
0.75
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 C18H23N7
MW 337.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.94

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