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Compound Detail

CHEMBL3088067

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Cl.O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3c(F)cccc3-c3nnn[nH]3)CC[C@H]2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3088067
Phase Preclinical
Structure Type MOL
InChI Key YBVJRYSSBGTOQE-BSINAJKTSA-N
Parent Compound CHEMBL3139582
Active Moiety CHEMBL3139582
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.62
ALogP
6
HBA
3
HBD
113.0
PSA (Ų)
0.76
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 C17H21ClFN5O3
MW 397.84
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.20

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
24140446 10.1016/j.bmcl.2013.09.045 Glutamate receptor 2 1
24140446 10.1016/j.bmcl.2013.09.045 Glutamate receptor ionotropic, kainate 1 1

Data from ChEMBL 36 via Core Engine