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Compound Detail

CHEMBL536753

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Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](CN(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl

Basic Information

ChEMBL ID CHEMBL536753
Phase Preclinical
Structure Type MOL
InChI Key WBBKMCVUUYZFAC-ZMBIFBSDSA-N
Parent Compound CHEMBL383710
Active Moiety CHEMBL383710
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

590.6
MW (Da)
5.64
ALogP
8
HBA
2
HBD
99.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34ClF3N8O
MW 627.11
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
17376680 10.1016/j.bmcl.2007.03.002 Tyrosine-protein kinase ABL1 1
17376680 10.1016/j.bmcl.2007.03.002 Tyrosine-protein kinase Lyn 1

Data from ChEMBL 36 via Core Engine