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Compound Detail

CHEMBL3899240

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CN(C)CCNC(=O)CC1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3Cc1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3899240
Phase Preclinical
Structure Type MOL
InChI Key BAEYZSCOWHWMQJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

537.5
MW (Da)
4.60
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26F3N3O4
MW 537.54
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.77

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27487567 10.1016/j.ejmech.2016.07.044 Unchecked 1

Data from ChEMBL 36 via Core Engine