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Compound Detail

CHEMBL357546

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O=C(O)CC[C@H](NC(=O)Nc1ccc(COC(=O)Oc2ccc(N(CCF)CCF)cc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357546
Phase Preclinical
Structure Type MOL
InChI Key DURWYTGAEIABQH-FQEVSTJZSA-N
0
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
3.59
ALogP
7
HBA
4
HBD
154.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27F2N3O8
MW 523.49
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.68

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.04 hr -
T1/2 0.1667 hr -

Literature References

PubMed DOI Target Context # Activities
9857097 10.1021/jm980425k ADMET 2
9857097 10.1021/jm980425k NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine