Compound Detail

CHEMBL310689

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CC(C)(C)NCCCCNCCCCNCCCCNC(C)(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL310689
Phase	Preclinical
Structure Type	MOL
InChI Key	SMBPHPMWRZNIRT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

342.6

MW (Da)

3.28

ALogP

HBA

HBD

48.1

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 4.25

IC50 1 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	5.52	5.52	3000.0	1
L1210 CHEMBL386	Ki	4.25	4.25	56000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	3000.0	nM	5.52	In vitro inhibition of L1210 growth after 96 hours.	7932575
L1210	Ki	=	56000.0	nM	4.25	Inhibition of radiolabeled spermidine uptake into L1210 cells in vitro.	7932575
L1210	Ki	=	56000.0	nM	4.25	In vitro inhibition of uptake [3H]-spermidine in L1210 (murine leukemia) cells.	8691443

PubMed	DOI	Target Context	# Activities
7932575	10.1021/jm00047a004	L1210	9
7853334	10.1021/jm00003a004	Rattus norvegicus	2
7932575	10.1021/jm00047a004	Ornithine decarboxylase	1
7932575	10.1021/jm00047a004	S-adenosylmethionine decarboxylase proenzyme	1
8691443	10.1021/jm950827h	L1210	1

Data from ChEMBL 36 via Core Engine