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Compound Detail

CHEMBL3885424

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CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC(=O)c4ccc(CCC)cc4)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3885424
Phase Preclinical
Structure Type MOL
InChI Key RRHFYXGCURQFLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
6.71
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31N5O3
MW 545.64
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.19

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