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Compound Detail

CHEMBL3142862

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C=CCO[C@H]1[C@H](O)[C@@H](COP(=O)(NC(C)C(=O)OCC)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142862
Phase Preclinical
Structure Type MOL
InChI Key FAJLQNBZKPFQGR-ZLPLKMFSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

539.5
MW (Da)
1.11
ALogP
11
HBA
3
HBD
167.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N3O10P
MW 539.48
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
10464011 10.1021/jm9807095 L1210 1
10464011 10.1021/jm9807095 MOLT-4 1
10464011 10.1021/jm9807095 CCRF-CEM 1
10464011 10.1021/jm9807095 FM3A 1

Data from ChEMBL 36 via Core Engine