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Compound Detail

CHEMBL262612

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CCN(C(=O)CF)c1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262612
Phase Preclinical
Structure Type MOL
InChI Key PUVWOAUSAZFXJD-DNQXCXABSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.72
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31FN2O2
MW 410.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.29

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18324757 10.1021/jm700961r Unchecked 1

Data from ChEMBL 36 via Core Engine