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Compound Detail

CHEMBL346426

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O=C(O)CC[C@H](NC(=O)Oc1ccc(COC(=O)Oc2ccc(N(CCF)CCF)cc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346426
Phase Preclinical
Structure Type MOL
InChI Key AZQCBXQALFPAIY-FQEVSTJZSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
3.55
ALogP
8
HBA
3
HBD
151.7
PSA (Ų)
0.25
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 C24H26F2N2O9
MW 524.47
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.30

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 - 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