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Compound Detail

CHEMBL474675

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COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCCCC5)c(Cl)c4=O)c3C)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474675
Phase Preclinical
Structure Type MOL
InChI Key BPYVWXBQGMTUHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

544.1
MW (Da)
5.57
ALogP
7
HBA
1
HBD
89.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30ClN5O3
MW 544.06
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
19146417 10.1021/jm800962k Mas-related G-protein coupled receptor member X1 1

Data from ChEMBL 36 via Core Engine