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Compound Detail

CHEMBL2443307

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CN1c2ccccc2C(=O)N2[C@@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443307
Phase Preclinical
Structure Type MOL
InChI Key QSOXJKJJXRDDNM-SJLPKXTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.77
ALogP
3
HBA
2
HBD
76.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O3
MW 347.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
24103429 10.1016/j.bmc.2013.09.030 HepG2 1
24103429 10.1016/j.bmc.2013.09.030 MCF7 1
24103429 10.1016/j.bmc.2013.09.030 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine