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Compound Detail

CHEMBL3397756

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O=C1/C(=C/c2ccco2)CNC/C1=C\c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397756
Phase Preclinical
Structure Type MOL
InChI Key SNOONVGPGGQOIR-MKICQXMISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.51
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO3
MW 255.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
25577711 10.1016/j.bmc.2014.12.042 No relevant target 3
25577711 10.1016/j.bmc.2014.12.042 ADMET 2
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 WI-38 1
25577711 10.1016/j.bmc.2014.12.042 DNA topoisomerase 2-alpha 1
25577711 10.1016/j.bmc.2014.12.042 Tyrosinase 1

Data from ChEMBL 36 via Core Engine