Compound Detail

CHEMBL1304814

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=S(=O)(CCN(CCS(=O)(=O)C(F)(F)F)CC1CCCO1)C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1304814
Phase	Preclinical
Structure Type	MOL
InChI Key	YSXQPUSTLZPULH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

421.4

MW (Da)

1.34

ALogP

HBA

HBD

80.8

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 5.03

IC50 3 meas. best 5.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194	IC50	5.27	5.19	5400.0	2
Unchecked CHEMBL612545	EC50	5.03	4.945	9321.0	4
Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180	IC50	4.95	4.95	11200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	5400.0	nM	5.27	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	7820.0	nM	5.11	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Unchecked	EC50	=	9321.0	nM	5.03	PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the...	-
Unchecked	EC50	=	10620.0	nM	4.97	PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce...	-
Unchecked	EC50	=	11100.0	nM	4.96	PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel...	-
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	11200.0	nM	4.95	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Unchecked	EC50	=	15260.0	nM	4.82	PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the...	-

Data from ChEMBL 36 via Core Engine