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Compound Detail

CHEMBL1172543

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Cc1ccc(C(=O)N2Cc3[nH]nc(NC(=O)c4ccc5ccccc5c4)c3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172543
Phase Preclinical
Structure Type MOL
InChI Key RFCFGUNDAYZPSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
4.28
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N4O2
MW 396.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
20621733 10.1016/j.bmcl.2010.04.083 HCT-116 1
20621733 10.1016/j.bmcl.2010.04.083 A549 1
20621733 10.1016/j.bmcl.2010.04.083 A2780 1

Data from ChEMBL 36 via Core Engine