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Compound Detail

CHEMBL1385115

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CN(C)CC#CCC(O)(c1ccccc1)C1CCCC1.Cl

Basic Information

ChEMBL ID CHEMBL1385115
Phase Preclinical
Structure Type MOL
InChI Key ZHPLPSXSOHLPAQ-UHFFFAOYSA-N
Parent Compound CHEMBL1618992
Active Moiety CHEMBL1618992
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.02
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
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 C18H26ClNO
MW 307.86
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.16

Activity Summary

EC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 16.0 nM 7.8 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine