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Compound Detail

CHEMBL4101154

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Cc1cccc(C(=O)Nc2ccc(C(=O)NNC3C(=O)Nc4ccccc43)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4101154
Phase Preclinical
Structure Type MOL
InChI Key BMZKKFXAJCTMTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.18
ALogP
4
HBA
4
HBD
99.3
PSA (Ų)
0.49
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 C23H20N4O3
MW 400.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
28787156 10.1021/acs.jmedchem.7b00794 Protein smoothened 2

Data from ChEMBL 36 via Core Engine