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Compound Detail

CHEMBL39408

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O=C(O)CC1CCc2cc(I)cc3[nH]c(=O)c(=O)n1c23

Basic Information

ChEMBL ID CHEMBL39408
Phase Preclinical
Structure Type MOL
InChI Key OACXOEWXZVHOKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.1
MW (Da)
1.26
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11IN2O4
MW 386.14
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.27

Activity Summary

Ki 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 7.33 7.33 46.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00244-N Glutamate receptor ionotropic, NMDA 1 2

Data from ChEMBL 36 via Core Engine