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Compound Detail

CHEMBL5893121

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COc1nccnc1C1CCN(c2nc(C3(CF)CC3)nc3ccc(N(C)CCO)cc23)CC1

Basic Information

ChEMBL ID CHEMBL5893121
Phase Preclinical
Structure Type MOL
InChI Key PNDBFIFSSFFOIT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.24
ALogP
8
HBA
1
HBD
87.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31FN6O2
MW 466.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.14

Activity Summary

EC50 2 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
EC50 5.9 5.9 1250.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine