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Compound Detail

CHEMBL4109878

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O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4109878
Phase Preclinical
Structure Type MOL
InChI Key PNRRDRBTZYBOHX-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
4.03
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.87
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 C22H25ClN2O2
MW 384.91
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.57

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
 Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2B Ki = 1.5 nM 8.82 Radioligand Binding Assay: To perform the competition binding assay, thawed memb... -

Data from ChEMBL 36 via Core Engine