Compound Detail

CHEMBL4303309

CX-5461

Phase I

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Phase I

Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4303309
Name	CX-5461
Phase	Phase I
Structure Type	MOL
InChI Key	XGPBJCHFROADCK-UHFFFAOYSA-N

Known Names

Cx-5461 Pidnarulex

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

513.6

MW (Da)

3.23

ALogP

HBA

HBD

95.7

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C27H27N7O2S
MW	513.63
Aromatic Rings	5
Heavy Atoms	37
NP-Likeness	-1.66

Indications

Neoplasms Prostatic Neoplasms, Castration-Resistant

Activity Summary

IC50 2 meas. best 6.92

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A2780 CHEMBL614004	IC50	6.92	6.92	120.0	1
HeLa CHEMBL399	IC50	5.16	5.16	6890.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A2780	IC50	=	120.0	nM	6.92	Antiproliferative activity against human A2780 cells incubated for 4 days by MTT...	31803394
HeLa	IC50	=	6890.0	nM	5.16	Cytotoxicity against human HeLa cells	34124673

Literature References

PubMed	DOI	Target Context	# Activities
31803394	10.1039/C9MD00227H	Unchecked	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
31803394	10.1039/C9MD00227H	A2780	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
34124673	10.1039/d0md00428f	HeLa	1

Data from ChEMBL 36 via Core Engine