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Compound Detail

CHEMBL4227767

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Cc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4227767
Phase Preclinical
Structure Type MOL
InChI Key TYQAHBQPWBRGFM-XMHLMXGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

643.6
MW (Da)
2.68
ALogP
11
HBA
4
HBD
178.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31FN3O10P
MW 643.56
Aromatic Rings 4
Heavy Atoms 45

Literature References

PubMed DOI Target Context # Activities
29277307 10.1016/j.bmc.2017.11.037 MCF7 1
29277307 10.1016/j.bmc.2017.11.037 MV4-11 1
29277307 10.1016/j.bmc.2017.11.037 MIA PaCa-2 1
29277307 10.1016/j.bmc.2017.11.037 SW-620 1
29277307 10.1016/j.bmc.2017.11.037 HEL 92.1.7 1
29277307 10.1016/j.bmc.2017.11.037 RL 1
29277307 10.1016/j.bmc.2017.11.037 Unchecked 1
29277307 10.1016/j.bmc.2017.11.037 Chikungunya virus 1
29277307 10.1016/j.bmc.2017.11.037 Vero 1

Data from ChEMBL 36 via Core Engine