Compound Detail

CHEMBL4745436

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CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4745436
Phase	Preclinical
Structure Type	MOL
InChI Key	QAGFMUJCCZEMAQ-BWFKFWHESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

700.0

MW (Da)

5.17

ALogP

HBA

HBD

141.2

PSA (Å²)

0.19

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 9.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L-540 CHEMBL2366153	EC50	9.92	9.92	0.1	1
L-428 CHEMBL2366233	EC50	9.32	9.32	0.5	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L-540	EC50	=	0.12	nM	9.92	Antiproliferative against human L540cy cells incubated for 96 hrs by cellTiter-G...	32527543
L-428	EC50	=	0.48	nM	9.32	Antiproliferative against human L428 cells incubated for 96 hrs by cellTiter-Glo...	32527543

PubMed	DOI	Target Context	# Activities
32527543	10.1016/j.bmcl.2020.127241	L-540	1
32527543	10.1016/j.bmcl.2020.127241	L-428	1
32527543	10.1016/j.bmcl.2020.127241	Tubulin	1

Data from ChEMBL 36 via Core Engine