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Compound Detail

CHEMBL302631

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CC(=O)N(CC(O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302631
Phase Preclinical
Structure Type MOL
InChI Key CVMXDGCSHBDZSA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.6
MW (Da)
4.91
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H37F2N3O2
MW 521.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12113815 10.1016/s0960-894x(02)00322-0 Rattus norvegicus 1
12113815 10.1016/s0960-894x(02)00322-0 Canis familiaris 1

Data from ChEMBL 36 via Core Engine