Compound Detail

CHEMBL292124

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CN(C)CCc1ccc2nc3c4ccccc4n(CCN(C)C)c3cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL292124
Phase	Preclinical
Structure Type	MOL
InChI Key	GKUZEDXGDACXNS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

360.5

MW (Da)

4.01

ALogP

HBA

HBD

24.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C23H28N4
MW	360.51
Aromatic Rings	4
Heavy Atoms	27
NP-Likeness	-0.64

Activity Summary

IC50 18 meas. best 5.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.2	5.012	6300.0	5
A2780 CHEMBL614004	IC50	5.2	5.07	6300.0	4
CH1 CHEMBL614455	IC50	5.2	5.095	6300.0	4
SK-OV-3 CHEMBL614925	IC50	5.2	5.2	6300.0	2
Telomerase reverse transcriptase CHEMBL2916	IC50	4.8	4.8	16000.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A2780	IC50	=	6300.0	nM	5.2	Cytotoxicity against human A2780 cells	35716866
A2780	IC50	=	6300.0	nM	5.2	Cytotoxicity against drug resistant human A2780 cells	35716866
CH1	IC50	=	6300.0	nM	5.2	Cytotoxicity against human CH1 cells	35716866
CH1	IC50	=	6300.0	nM	5.2	Cytotoxicity against drug resistant human CH1 cells	35716866
SK-OV-3	IC50	=	6300.0	nM	5.2	Cytotoxicity against human SK-OV-3 cells	35716866
SK-OV-3	IC50	=	6300.0	nM	5.2	Cytotoxicity against human SK-OV-3 cells assessed as cell growth inhibition	34710743
NON-PROTEIN TARGET	IC50	=	6300.0	nM	5.2	Compound was evaluated for cytotoxicity against human ovarian cancer cell SKOV-3	10999471
NON-PROTEIN TARGET	IC50	=	8400.0	nM	5.08	Compound was evaluated for cytotoxicity against human ovarian cancer cell CHI	10999471
CH1	IC50	=	8400.0	nM	5.08	Cytotoxicity against human CH1 cells assessed as cell growth inhibition	34710743
NON-PROTEIN TARGET	IC50	=	10500.0	nM	4.98	Compound was evaluated for cytotoxicity against human ovarian cancer cell A2780R...	10999471
A2780	IC50	=	10500.0	nM	4.98	Cytotoxicity against drug resistant human A2780 cells assessed as cell growth in...	34710743
NON-PROTEIN TARGET	IC50	=	12500.0	nM	4.9	Compound was evaluated for cytotoxicity against human ovarian cancer cell A2780	10999471
NON-PROTEIN TARGET	IC50	=	12500.0	nM	4.9	Compound was evaluated for cytotoxicity against human ovarian cancer cell CHI R	10999471
A2780	IC50	=	12500.0	nM	4.9	Cytotoxicity against human A2780 cells assessed as cell growth inhibition	34710743
CH1	IC50	=	12500.0	nM	4.9	Cytotoxicity against drug resistant human CH1 cells assessed as cell growth inhi...	34710743
Telomerase reverse transcriptase	IC50	=	16000.0	nM	4.8	Inhibitory activity against human ovarian cancer cell (A2780 cells) Telomerase	10999471
Telomerase reverse transcriptase	IC50	=	16000.0	nM	4.8	Inhibition of telomerase (unknown origin)	35716866
Telomerase reverse transcriptase	IC50	=	16000.0	nM	4.8	Inhibition of telomerase (unknown origin)	34710743

Literature References

PubMed	DOI	Target Context	# Activities
10999471	10.1016/s0960-894x(00)00378-4	NON-PROTEIN TARGET	5
35716866	10.1016/j.bmcl.2022.128862	A2780	2
35716866	10.1016/j.bmcl.2022.128862	CH1	2
34710743	10.1016/j.ejmech.2021.113938	A2780	2
34710743	10.1016/j.ejmech.2021.113938	CH1	2
10999471	10.1016/s0960-894x(00)00378-4	Telomerase reverse transcriptase	1
-	10.1007/s00044-011-9594-4	Telomerase reverse transcriptase	1
35716866	10.1016/j.bmcl.2022.128862	Telomerase reverse transcriptase	1
35716866	10.1016/j.bmcl.2022.128862	SK-OV-3	1
34710743	10.1016/j.ejmech.2021.113938	Telomerase reverse transcriptase	1
34710743	10.1016/j.ejmech.2021.113938	SK-OV-3	1

Data from ChEMBL 36 via Core Engine