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Compound Detail

CHEMBL263720

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c1ccc(CN2CCCC[C@H]2[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1

Basic Information

ChEMBL ID CHEMBL263720
Phase Preclinical
Structure Type MOL
InChI Key RBMCSBYYUMIAIO-IZZNHLLZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
5.36
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO2
MW 399.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.01

Activity Summary

Ki 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 5.0 5.0 10100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 10100.0 nM 5.0 Displacement of [3H]TCP from PCP receptor in tissue preparation of whole rat bra... 1349351

Literature References

PubMed DOI Target Context # Activities
1349351 10.1021/jm00086a001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine