Compound Detail

CHEMBL1770488

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CC1=NN(C(=O)c2ccccc2C)C(c2ccccc2O)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1770488
Phase	Preclinical
Structure Type	MOL
InChI Key	WUFOBRRIKKZNFY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

294.4

MW (Da)

3.66

ALogP

HBA

HBD

52.9

PSA (Å²)

0.92

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 4.61

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	IC50	4.61	4.61	24500.0	1
DNA polymerase I, thermostable CHEMBL3564	IC50	4.3	4.3	50500.0	1
HepG2 CHEMBL395	IC50	4.02	4.02	95170.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	IC50	=	24500.0	nM	4.61	Inhibition of telomerase activity expressed in human SGC7901 cells by SYBER gree...	21486698
DNA polymerase I, thermostable	IC50	=	50500.0	nM	4.3	Inhibition of Thermus aquaticus taq polymerase	21486698
HepG2	IC50	=	95170.0	nM	4.02	Cytotoxicity against human HepG2 after 48 hrs by MTT assay	21486698

PubMed	DOI	Target Context	# Activities
21486698	10.1016/j.bmcl.2011.03.066	SGC-7901	1
21486698	10.1016/j.bmcl.2011.03.066	HepG2	1
21486698	10.1016/j.bmcl.2011.03.066	PC-3	1
21486698	10.1016/j.bmcl.2011.03.066	DNA polymerase I, thermostable	1
21486698	10.1016/j.bmcl.2011.03.066	Telomerase reverse transcriptase	1
21486698	10.1016/j.bmcl.2011.03.066	Unchecked	1

Data from ChEMBL 36 via Core Engine