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Compound Detail

CHEMBL4073532

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CN1CCN(CCc2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073532
Phase Preclinical
Structure Type MOL
InChI Key HVUQWTLUSUXSBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
3.13
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O
MW 430.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
28301155 10.1021/acs.jmedchem.6b01879 K562/A02 2
28301155 10.1021/acs.jmedchem.6b01879 K562 1
28301155 10.1021/acs.jmedchem.6b01879 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine