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Compound Detail

CHEMBL1378097

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Clc1cccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c1.[Br-]

Basic Information

ChEMBL ID CHEMBL1378097
Phase Preclinical
Structure Type MOL
InChI Key HAZWNZCKFPKELT-UHFFFAOYSA-M
Parent Compound CHEMBL1618674
Active Moiety CHEMBL1618674
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.8
MW (Da)
4.09
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrClN2
MW 389.72
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.05

Activity Summary

EC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 7.0 nM 8.15 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine