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Compound Detail

CHEMBL4456533

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Cc1cc(N(C)c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456533
Phase Preclinical
Structure Type MOL
InChI Key RULGYRBREFYDBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
7.47
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H25N3
MW 427.55
Aromatic Rings 6
Heavy Atoms 33
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
30818177 10.1016/j.ejmech.2019.02.038 HCT-116 1
30818177 10.1016/j.ejmech.2019.02.038 Unchecked 1

Data from ChEMBL 36 via Core Engine