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Compound Detail

CHEMBL4072621

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Cc1cnc2c(N3CCOCC3)cc(-c3ccc(NC(=O)Nc4ccncc4)cc3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072621
Phase Preclinical
Structure Type MOL
InChI Key YDMXEQRSVPLJNC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.58
ALogP
7
HBA
2
HBD
96.7
PSA (Ų)
0.51
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 C23H23N7O2
MW 429.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
28235701 10.1016/j.ejmech.2017.02.015 A549 1
28235701 10.1016/j.ejmech.2017.02.015 A-375 1
28235701 10.1016/j.ejmech.2017.02.015 MCF7 1
28235701 10.1016/j.ejmech.2017.02.015 Unchecked 1
28235701 10.1016/j.ejmech.2017.02.015 NCI-H460 1
28235701 10.1016/j.ejmech.2017.02.015 HEK293 1
28235701 10.1016/j.ejmech.2017.02.015 No relevant target 1

Data from ChEMBL 36 via Core Engine