Compound Detail

CHEMBL5278697

Enter ChEMBL ID:

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

Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOc2ccc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5278697
Phase	Preclinical
Structure Type	MOL
InChI Key	IVARZBJJMMUJHI-QQCMMSCGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

936.1

MW (Da)

5.25

ALogP

HBA

HBD

208.6

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C49H58FN9O7S
MW	936.12
Aromatic Rings	5
Heavy Atoms	67
NP-Likeness	-0.72

Activity Summary

IC50 6 meas. best 7.55

EC50 5 meas. best 8.48

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 CHEMBL5465235	EC50	8.48	8.35	3.3	2
von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 CHEMBL4748227	EC50	7.96	7.96	11.0	1
Protein polybromo-1/von Hippel-Lindau disease tumor suppressor CHEMBL5291979	EC50	7.81	7.655	15.6	2
MV4-11 CHEMBL613835	IC50	7.55	7.55	28.0	1
Unchecked CHEMBL612545	IC50	7.17	6.735	68.0	2
SK-MEL-5 CHEMBL614922	IC50	7.11	7.11	77.0	1
Transcription activator BRG1 CHEMBL3085620	IC50	6.25	6.25	560.0	1
Probable global transcription activator SNF2L2 CHEMBL2362979	IC50	6.11	6.11	770.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2	EC50	=	3.3	nM	8.48	PROTAC activity at SMARCA2/VHL in human NCI-H1568 cells assessed as degradation ...	32871345
von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2	EC50	=	6.0	nM	8.22	PROTAC activity at SMARCA2/VHL in human MV4-11 cells assessed as degradation pro...	32871345
von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1	EC50	=	11.0	nM	7.96	PROTAC activity at SMARCA4/VHL in human MV4-11 cells assessed as degradation pro...	32871345
Protein polybromo-1/von Hippel-Lindau disease tumor suppressor	EC50	=	15.6	nM	7.81	PROTAC activity at PBRM1/VHL in human NCI-H1568 cells assessed as degradation pr...	32871345
MV4-11	IC50	=	28.0	nM	7.55	Antiproliferative activity against human MV4-11 cells measured after 7 days	32871345
Protein polybromo-1/von Hippel-Lindau disease tumor suppressor	EC50	=	32.0	nM	7.5	PROTAC activity at PBRM1/VHL in human MV4-11 cells assessed as degradation prote...	32871345
Unchecked	IC50	=	68.0	nM	7.17	Antiproliferative activity against human NCI-H1568 cells measured after 7 days	32871345
SK-MEL-5	IC50	=	77.0	nM	7.11	Antiproliferative activity against human SK-MEL-5 cells measured after 7 days	32871345
Unchecked	IC50	=	504.0	nM	6.3	Inhibition of PRIM1 BD5 (unknown origin)	32871345
Transcription activator BRG1	IC50	=	560.0	nM	6.25	Inhibition of SMARCA4 BD (unknown origin)	32871345
Probable global transcription activator SNF2L2	IC50	=	770.0	nM	6.11	Inhibition of SMARCA2 BD (unknown origin)	32871345

Literature References

PubMed	DOI	Target Context	# Activities
32871345	10.1016/j.ejmech.2020.112750	von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2	2
32871345	10.1016/j.ejmech.2020.112750	Protein polybromo-1/von Hippel-Lindau disease tumor suppressor	2
32871345	10.1016/j.ejmech.2020.112750	Unchecked	2
32871345	10.1016/j.ejmech.2020.112750	von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1	1
32871345	10.1016/j.ejmech.2020.112750	Probable global transcription activator SNF2L2	1
32871345	10.1016/j.ejmech.2020.112750	Transcription activator BRG1	1
32871345	10.1016/j.ejmech.2020.112750	MV4-11	1
32871345	10.1016/j.ejmech.2020.112750	SK-MEL-5	1

Data from ChEMBL 36 via Core Engine