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Compound Detail

CHEMBL136618

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O=C(CC1OC(CO)C(O)C(O)C1O)Nc1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136618
Phase Preclinical
Structure Type MOL
InChI Key ZCHKLYSCVDAJAX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
-0.86
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.49
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 C14H17F2NO6
MW 333.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.35

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
9435905 10.1021/jm970488n Unchecked 1

Data from ChEMBL 36 via Core Engine