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Compound Detail

CHEMBL3397761

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CCCCCCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397761
Phase Preclinical
Structure Type MOL
InChI Key QSWJJXYDETUEEN-NLLYGJECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
9.01
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H47NO4
MW 521.74
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
25577711 10.1016/j.bmc.2014.12.042 CCRF-CEM 1
25577711 10.1016/j.bmc.2014.12.042 HeLa 1
25577711 10.1016/j.bmc.2014.12.042 L1210 1
25577711 10.1016/j.bmc.2014.12.042 ADMET 1

Data from ChEMBL 36 via Core Engine