Compound Detail

CHEMBL1560833

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Cc1n[nH]c(S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)O)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1560833
Phase	Preclinical
Structure Type	MOL
InChI Key	FSTMVTJCUXGKFP-AUWJEWJLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

405.8

MW (Da)

3.94

ALogP

HBA

HBD

129.3

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 5.63

EC50 2 meas. best 5.86

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Zinc finger protein mex-5 CHEMBL1293319	EC50	5.86	5.86	1375.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	5.75	5.75	1759.0	1
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.63	5.63	2346.0	1
Unchecked CHEMBL612545	IC50	5.16	4.995	6896.0	2
26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629	IC50	5.04	5.04	9040.0	1
Prothrombin CHEMBL4471	IC50	5.01	5.01	9790.0	1
Aminopeptidase N CHEMBL4117	IC50	4.95	4.95	11300.0	1
RNA-editing ligase 1, mitochondrial CHEMBL4105928	IC50	4.64	4.64	22931.0	1
Bifunctional protein GlmU CHEMBL1293297	IC50	4.21	4.21	61870.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Zinc finger protein mex-5	EC50	=	1375.0	nM	5.86	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
RNA-binding protein pos-1	EC50	=	1759.0	nM	5.75	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	2346.03	nM	5.63	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
Unchecked	IC50	=	6896.0	nM	5.16	PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ...	-
26S proteasome non-ATPase regulatory subunit 14	IC50	=	9040.0	nM	5.04	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F...	-
Prothrombin	IC50	=	9790.0	nM	5.01	PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ...	-
Aminopeptidase N	IC50	=	11300.0	nM	4.95	PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep...	-
Unchecked	IC50	=	14855.0	nM	4.83	PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio...	-
RNA-editing ligase 1, mitochondrial	IC50	=	22931.0	nM	4.64	PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a...	-
Bifunctional protein GlmU	IC50	=	61870.0	nM	4.21	PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra...	-

Data from ChEMBL 36 via Core Engine