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Compound Detail

CHEMBL4211392

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COC(=O)/C(=C\c1ccc(OC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1)Sc1ccnc2cc(Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211392
Phase Preclinical
Structure Type MOL
InChI Key YKBFLTYEMFRYSS-KUZBLNJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

794.3
MW (Da)
11.15
ALogP
9
HBA
0
HBD
93.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H36ClNO7S
MW 794.33
Aromatic Rings 7
Heavy Atoms 57
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
29398445 10.1016/j.bmc.2017.12.022 HL-60 1
29398445 10.1016/j.bmc.2017.12.022 Jurkat E6.1 1
29398445 10.1016/j.bmc.2017.12.022 Lymphocyte 1
29398445 10.1016/j.bmc.2017.12.022 Unchecked 1

Data from ChEMBL 36 via Core Engine