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Compound Detail

CHEMBL1422262

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CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1422262
Phase Preclinical
Structure Type MOL
InChI Key VMYGYNWLYSFAFC-UHFFFAOYSA-N
Parent Compound CHEMBL1620234
Active Moiety CHEMBL1620234
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
4.18
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36ClNO2
MW 369.98
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.17

Activity Summary

EC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
 EC50 4.67 4.67 21500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neurotensin receptor type 1 EC50 = 21500.0 nM 4.67 PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... -

Data from ChEMBL 36 via Core Engine