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Compound Detail

CHEMBL3884164

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CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(Oc4ccccc4)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884164
Phase Preclinical
Structure Type MOL
InChI Key UWDJHLUDQZOPHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
6.33
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N5O2
MW 475.55
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
27676469 10.1016/j.ejmech.2016.09.010 Broad substrate specificity ATP-binding cassette transporter ABCG2 2

Data from ChEMBL 36 via Core Engine