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Compound Detail

CHEMBL4165128

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COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C13C2C(P(=O)(OC)OC)=C(C)N3NC(=O)OC(C)(C)C)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165128
Phase Preclinical
Structure Type MOL
InChI Key GVPDYQFXJJXCRT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

615.6
MW (Da)
5.21
ALogP
11
HBA
1
HBD
117.3
PSA (Ų)
0.43
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N3O9P
MW 615.62
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 0.33

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30196978 10.1016/j.bmc.2018.08.038 NCTC-2544 3
30196978 10.1016/j.bmc.2018.08.038 No relevant target 1
30196978 10.1016/j.bmc.2018.08.038 DNA 1

Data from ChEMBL 36 via Core Engine