Compound Detail

CHEMBL2063869

GDC-0152

Phase I

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Phase I

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2063869
Name	GDC-0152
Phase	Phase I
Structure Type	MOL
InChI Key	WZRFLSDVFPIXOV-LRQRDZAKSA-N

Known Names

Gdc-0152

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

498.6

MW (Da)

2.81

ALogP

HBA

HBD

116.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Protein
Chirality	Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula	C25H34N6O3S
MW	498.65
Aromatic Rings	2
Heavy Atoms	35
NP-Likeness	-1.02

Indications

Neoplasms

Activity Summary

Ki 9 meas. best 7.85

IC50 6 meas. best 7.98

Kd 6 meas. best 7.85

EC50 2 meas. best 8.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SK-OV-3 CHEMBL614925	EC50	8.6	8.56	2.5	2
Baculoviral IAP repeat-containing protein 2 CHEMBL5462	IC50	7.98	7.98	10.4	1
Baculoviral IAP repeat-containing protein 3 CHEMBL5335	IC50	7.89	7.89	12.9	1
Baculoviral IAP repeat-containing protein 7 CHEMBL1075127	Kd	7.85	7.85	14.0	1
Max-like protein X CHEMBL2062357	Ki	7.85	7.85	14.0	1
Baculoviral IAP repeat-containing protein 2 CHEMBL5462	Kd	7.77	7.77	17.0	1
Baculoviral IAP repeat-containing protein 2 CHEMBL5462	Ki	7.77	6.305	17.0	2
E3 ubiquitin-protein ligase XIAP CHEMBL4198	IC50	7.68	7.5467	21.0	3
E3 ubiquitin-protein ligase XIAP CHEMBL4198	Kd	7.55	7.1867	28.0	3
E3 ubiquitin-protein ligase XIAP CHEMBL4198	Ki	7.55	6.4025	28.0	4
Baculoviral IAP repeat-containing protein 3 CHEMBL5335	Kd	7.37	7.37	43.0	1
Baculoviral IAP repeat-containing protein 3 CHEMBL5335	Ki	7.37	6.195	43.0	2
Unchecked CHEMBL612545	IC50	6.1	6.1	800.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	9.0	mL.min-1.kg-1	Homo sapiens
T1/2	1.0	hr	Mus musculus
Vd	0.6	L.kg-1	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SK-OV-3	EC50	=	2.5	nM	8.6	Induction of apoptosis in human SKOV3 cells assessed caspase-3 activation after ...	31095386
SK-OV-3	EC50	=	3.0	nM	8.52	Induction of apoptosis in human SKOV3 cells assessed caspase-3 activation after ...	31095386
Baculoviral IAP repeat-containing protein 2	IC50	=	10.4	nM	7.98	Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by...	29940121
Baculoviral IAP repeat-containing protein 3	IC50	=	12.9	nM	7.89	Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by...	29940121
Baculoviral IAP repeat-containing protein 7	Kd	=	14.0	nM	7.85	Binding affinity to ML-IAP-BIR domain (unknown origin)	30676015
Max-like protein X	Ki	=	14.0	nM	7.85	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by f...	22413863
Baculoviral IAP repeat-containing protein 2	Kd	=	17.0	nM	7.77	Binding affinity to cIAP1-BIR3 domain (unknown origin)	30676015
Baculoviral IAP repeat-containing protein 2	Ki	=	17.0	nM	7.77	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP1 BIR3 domain after 30 m...	22413863
E3 ubiquitin-protein ligase XIAP	IC50	=	21.0	nM	7.68	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human X...	31095386
E3 ubiquitin-protein ligase XIAP	IC50	=	21.0	nM	7.68	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human X...	31095386
E3 ubiquitin-protein ligase XIAP	Ki	=	28.0	nM	7.55	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mi...	22413863
E3 ubiquitin-protein ligase XIAP	Kd	=	28.0	nM	7.55	Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by f...	30676015
Baculoviral IAP repeat-containing protein 3	Kd	=	43.0	nM	7.37	Binding affinity to cIAP2-BIR3 domain (unknown origin)	30676015
Baculoviral IAP repeat-containing protein 3	Ki	=	43.0	nM	7.37	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP2 BIR3 domain after 30 m...	22413863
E3 ubiquitin-protein ligase XIAP	IC50	=	52.7	nM	7.28	Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant X...	29940121
E3 ubiquitin-protein ligase XIAP	Kd	=	88.0	nM	7.06	Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 34...	29940121
E3 ubiquitin-protein ligase XIAP	Kd	=	112.0	nM	6.95	Binding affinity to XIAP-BIR2 domain (unknown origin) by fluorescence polarizati...	30676015
E3 ubiquitin-protein ligase XIAP	Ki	=	112.0	nM	6.95	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR2 domain after 30 mi...	22413863
E3 ubiquitin-protein ligase XIAP	Ki	=	260.0	nM	6.58	Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence pola...	23743278
Unchecked	IC50	=	800.0	nM	6.1	Antiproliferative activity against human EU-1 cells assessed as inhibition of ce...	37130471

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5058577	Fibroblast	304
-	10.6019/CHEMBL5058577	U2OS	304
-	10.6019/CHEMBL5058577	HEK-293T	304
-	10.6019/CHEMBL5724801	U2OS	304
-	10.6019/CHEMBL5724801	Fibroblast	304
-	10.6019/CHEMBL5724801	HEK-293T	304
-	10.6019/CHEMBL5058564	Fibroblast	10
-	10.6019/CHEMBL5303304	HEK-293T	9
-	10.6019/CHEMBL5058564	HEK-293T	9
31095386	10.1021/acs.jmedchem.9b00561	E3 ubiquitin-protein ligase XIAP	7
22413863	10.1021/jm300060k	Nucleic Acid	6
22413863	10.1021/jm300060k	Plasma	6
22413863	10.1021/jm300060k	E3 ubiquitin-protein ligase XIAP	6
29940121	10.1021/acs.jmedchem.8b00810	E3 ubiquitin-protein ligase XIAP	5
-	10.6019/CHEMBL5058564	U2OS	5
22413863	10.1021/jm300060k	MDA-MB-231	5
-	10.6019/CHEMBL5303304	Fibroblast	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL5303304	U2OS	4
29940121	10.1021/acs.jmedchem.8b00810	Baculoviral IAP repeat-containing protein 2	4

Data from ChEMBL 36 via Core Engine