Compound Detail

CHEMBL340888

Enter ChEMBL ID:

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

C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCCC(=O)NS(C)(=O)=O)C(=O)O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL340888
Phase	Preclinical
Structure Type	MOL
InChI Key	QVNSUJYGSIEUON-QHCPKHFHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

599.6

MW (Da)

2.16

ALogP

HBA

HBD

178.9

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Thymidylate synthase CHEMBL3160	IC50	8.72	8.72	1.9	1
L1210 CHEMBL386	IC50	6.72	6.72	190.0	1
L1210 (RD1694) CHEMBL614713	IC50	6.35	6.35	450.0	1
L1210 (1565) CHEMBL614000	IC50	5.32	5.32	4800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Thymidylate synthase	IC50	=	1.9	nM	8.72	Inhibition of isolated thymidylate synthase partially purified from L1210 mouse ...	10508430
L1210	IC50	=	190.0	nM	6.72	Growth inhibition of murine tumor L1210 cell line	10508430
L1210 (RD1694)	IC50	=	450.0	nM	6.35	Tested for inhibition of cell growth in culture against murine tumor L1210:RD169...	10508430
L1210 (1565)	IC50	=	4800.0	nM	5.32	Inhibition of cell growth in culture against murine tumor L1210:1565 cell lines	10508430

PubMed	DOI	Target Context	# Activities
10508430	10.1021/jm9803727	L1210 (1565)	2
10508430	10.1021/jm9803727	L1210 (RD1694)	2
10508430	10.1021/jm9803727	Thymidylate synthase	1
10508430	10.1021/jm9803727	L1210	1

Data from ChEMBL 36 via Core Engine