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Compound Detail

CHEMBL4074739

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CC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074739
Phase Preclinical
Structure Type MOL
InChI Key YAPUZDQPAAAEDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.64
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O
MW 360.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.58

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