Compound Detail

CHEMBL449158

BRYOSTATIN 1

🧪 Phase II

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🧪 Phase II

CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL449158
Name	BRYOSTATIN 1
Phase	Phase II
Structure Type	MOL
InChI Key	MJQUEDHRCUIRLF-TVIXENOKSA-N

Known Names

Bryostatin 1 Bryostatin-1 NSC-339555

665

Targets

666

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

905.0

MW (Da)

4.28

ALogP

HBA

HBD

240.1

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-stat-

Extended Properties

Molecular Formula	C47H68O17
MW	905.04
Aromatic Rings	0
Heavy Atoms	64
NP-Likeness	1.83

Indications

Alzheimer Disease Breast Neoplasms Carcinoma, Renal Cell Colorectal Neoplasms Head and Neck Neoplasms Kidney Neoplasms Leukemia Leukemia, Myeloid, Acute Lung Neoplasms Lymphoma Multiple Myeloma Myelodysplastic Syndromes Neoplasms, Plasma Cell Ovarian Neoplasms Prostatic Neoplasms, Castration-Resistant Stomach Neoplasms Uterine Cervical Neoplasms Burkitt Lymphoma HIV Infections Leukemia, Lymphoid

Activity Summary

IC50 662 meas. best 8.81

Ki 4 meas. best 9.36

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein kinase C delta type CHEMBL2996	Ki	9.36	9.16	0.4	2
Protein kinase C alpha type CHEMBL299	Ki	9.32	9.32	0.5	1
Unchecked CHEMBL612545	Ki	8.87	8.87	1.4	1
SIG-M5 CHEMBL2366251	IC50	8.81	8.81	1.6	1
M059J CHEMBL1075494	IC50	8.7	8.7	2.0	1
HMV-2 cell line CHEMBL614826	IC50	8.65	8.65	2.3	1
NCI-H1573 CHEMBL1075515	IC50	8.63	8.63	2.4	1
YKG-1 CHEMBL1075612	IC50	8.38	8.38	4.1	1
CAL-85-1 CHEMBL1075415	IC50	8.26	8.26	5.5	1
S-117 CHEMBL1075568	IC50	8.23	8.23	5.9	1
BPH-1 CHEMBL2366131	IC50	8.22	8.22	6.0	1
D-542MG CHEMBL2366208	IC50	8.12	8.12	7.6	1
RERF-LC-MS CHEMBL1075563	IC50	7.97	7.97	10.8	1
MDA-MB-468 CHEMBL614335	IC50	7.96	7.96	11.1	1
TT CHEMBL2366083	IC50	7.94	7.94	11.4	1
M14 CHEMBL614317	IC50	7.94	7.94	11.4	1
Huh-7 CHEMBL614039	IC50	7.92	7.92	12.0	1
SBC-5 CHEMBL614896	IC50	7.9	7.9	12.6	1
G-361 CHEMBL614036	IC50	7.86	7.86	13.9	1
ML-2 CHEMBL614356	IC50	7.86	7.86	13.8	1
MC-IXC CHEMBL1075495	IC50	7.85	7.85	14.2	1
HEL CHEMBL613888	IC50	7.82	7.82	15.3	1
EOL1 CHEMBL614489	IC50	7.82	7.82	15.3	1
A253 cell line CHEMBL614255	IC50	7.8	7.8	15.7	1
D-502MG CHEMBL2366343	IC50	7.78	7.78	16.7	1
HT55 CHEMBL1075471	IC50	7.76	7.76	17.5	1
LK-2 CHEMBL1075490	IC50	7.73	7.73	18.4	1
NCI-H2030 CHEMBL1075530	IC50	7.72	7.72	19.0	1
NCI-H727 CHEMBL1075545	IC50	7.72	7.72	19.0	1
H4 CHEMBL1075452	IC50	7.67	7.67	21.4	1
ACN CHEMBL2366195	IC50	7.67	7.67	21.5	1
EW-13 CHEMBL2366124	IC50	7.65	7.65	22.5	1
CP66-MEL CHEMBL2366363	IC50	7.65	7.65	22.6	1
C3A CHEMBL1075402	IC50	7.64	7.64	22.8	1
DOHH-2 CHEMBL2366181	IC50	7.64	7.64	22.9	1
SW 962 CHEMBL613530	IC50	7.63	7.63	23.4	1
TE-11 CHEMBL2366166	IC50	7.62	7.62	23.7	1
KU812 cell line CHEMBL613997	IC50	7.62	7.62	24.1	1
NCI-H1437 CHEMBL1075513	IC50	7.61	7.61	24.6	1
SW684 CHEMBL2366143	IC50	7.59	7.59	25.9	1
786-0 CHEMBL613102	IC50	7.58	7.58	26.2	1
KARPAS-45 CHEMBL2366305	IC50	7.57	7.57	26.8	1
697 CHEMBL2366253	IC50	7.54	7.54	28.5	1
SW837 CHEMBL1075596	IC50	7.53	7.53	29.7	1
MHH-CALL-2 CHEMBL2366286	IC50	7.53	7.53	29.2	1
EFM-19 CHEMBL1075439	IC50	7.52	7.52	30.0	1
DU-4475 CHEMBL2366246	IC50	7.51	7.51	31.2	1
NCI-H1648 CHEMBL2366214	IC50	7.5	7.5	32.0	1
COLO-829 CHEMBL2366275	IC50	7.49	7.49	32.1	1
NCI-H2122 CHEMBL1075533	IC50	7.46	7.46	35.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein kinase C delta type	Ki	=	0.44	nM	9.36	Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells ...	19438240
Protein kinase C alpha type	Ki	=	0.48	nM	9.32	Inhibition of [20-3H]phorbol 12,13-dibutyrate binding to human PKCalpha by scint...	25808573
Protein kinase C delta type	Ki	=	1.1	nM	8.96	Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta express...	26900711
Unchecked	Ki	=	1.35	nM	8.87	Binding affinity to PKC	22579485
SIG-M5	IC50	=	1.562	nM	8.81	SANGER: Inhibition of human SIG-M5 cell growth in a cell viability assay.	-
M059J	IC50	=	2.0	nM	8.7	SANGER: Inhibition of human M059J cell growth in a cell viability assay.	-
HMV-2 cell line	IC50	=	2.259	nM	8.65	SANGER: Inhibition of human HMV-II cell growth in a cell viability assay.	-
NCI-H1573	IC50	=	2.357	nM	8.63	SANGER: Inhibition of human NCI-H1573 cell growth in a cell viability assay.	-
YKG-1	IC50	=	4.128	nM	8.38	SANGER: Inhibition of human YKG-1 cell growth in a cell viability assay.	-
CAL-85-1	IC50	=	5.524	nM	8.26	SANGER: Inhibition of human CAL-85-1 cell growth in a cell viability assay.	-
S-117	IC50	=	5.923	nM	8.23	SANGER: Inhibition of human S-117 cell growth in a cell viability assay.	-
BPH-1	IC50	=	6.027	nM	8.22	SANGER: Inhibition of human BPH-1 cell growth in a cell viability assay.	-
D-542MG	IC50	=	7.559	nM	8.12	SANGER: Inhibition of human D-542MG cell growth in a cell viability assay.	-
RERF-LC-MS	IC50	=	10.8	nM	7.97	SANGER: Inhibition of human RERF-LC-MS cell growth in a cell viability assay.	-
MDA-MB-468	IC50	=	11.09	nM	7.96	SANGER: Inhibition of human MDA-MB-468 cell growth in a cell viability assay.	-
M14	IC50	=	11.43	nM	7.94	SANGER: Inhibition of human M14 cell growth in a cell viability assay.	-
TT	IC50	=	11.41	nM	7.94	SANGER: Inhibition of human TT cell growth in a cell viability assay.	-
Huh-7	IC50	=	12.02	nM	7.92	SANGER: Inhibition of human HuH-7 cell growth in a cell viability assay.	-
SBC-5	IC50	=	12.57	nM	7.9	SANGER: Inhibition of human SBC-5 cell growth in a cell viability assay.	-
ML-2	IC50	=	13.84	nM	7.86	SANGER: Inhibition of human ML-2 cell growth in a cell viability assay.	-

Literature References

PubMed	DOI	Target Context	# Activities
15646539	10.1016/s0399-8320(04)95062-2	Unchecked	11
15646539	10.1016/s0399-8320(04)95062-2	NON-PROTEIN TARGET	8
25808573	10.1021/acs.jnatprod.5b00094	U-937	6
34128674	10.1021/acs.jmedchem.0c02026	SMMC-7721	5
20817520	10.1016/j.bmcl.2010.08.051	Raji	4
20817520	10.1016/j.bmcl.2010.08.051	Unchecked	4
38036273	10.1016/j.bmcl.2023.129570	U-937	3
34128674	10.1021/acs.jmedchem.0c02026	PLC-PRF-5	3
16372404	10.1038/nchembio748	RBL-2H3	2
22579485	10.1016/j.bmcl.2012.04.073	U-937	2
20817520	10.1016/j.bmcl.2010.08.051	NON-PROTEIN TARGET	2
20817520	10.1016/j.bmcl.2010.08.051	NCI-H460	1
22579485	10.1016/j.bmcl.2012.04.073	Protein kinase C beta type	1
22579485	10.1016/j.bmcl.2012.04.073	Protein kinase C alpha type	1
20817520	10.1016/j.bmcl.2010.08.051	SF-295	1
20817520	10.1016/j.bmcl.2010.08.051	HCC 2998	1
38036273	10.1016/j.bmcl.2023.129570	LNCaP	1
20817520	10.1016/j.bmcl.2010.08.051	LOX IMVI	1
20817520	10.1016/j.bmcl.2010.08.051	St-4	1
20817520	10.1016/j.bmcl.2010.08.051	PC-3	1

Data from ChEMBL 36 via Core Engine