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Compound Detail

CHEMBL1090850

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COc1nc(Cl)nc(C)c1CCOC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1090850
Phase Preclinical
Structure Type MOL
InChI Key UUPXDDVXYBDFNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

244.7
MW (Da)
1.55
ALogP
5
HBA
0
HBD
61.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13ClN2O3
MW 244.68
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
20211564 10.1016/j.bmc.2010.02.023 MOLT-4 1
20211564 10.1016/j.bmc.2010.02.023 HCT-116 1
20211564 10.1016/j.bmc.2010.02.023 SW-620 1
20211564 10.1016/j.bmc.2010.02.023 MCF7 1
20211564 10.1016/j.bmc.2010.02.023 NCI-H460 1

Data from ChEMBL 36 via Core Engine