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Compound Detail

CHEMBL3084632

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Fc1ccc(C(O[C@H]2C[C@H]3CC[C@@H](C2)N3)c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3084632
Phase Preclinical
Structure Type MOL
InChI Key ZBKITZYQNFJNIF-BWTSREIZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.35
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21F2NO
MW 329.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.09

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19419864 10.1016/j.bmcl.2009.03.164 Unchecked 1

Data from ChEMBL 36 via Core Engine