Compound Detail

CHEMBL35769

DOLASTATIN 15

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COC1=CC(=O)N(C(=O)[C@@H](OC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@H]1Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL35769
Name	DOLASTATIN 15
Phase	Preclinical
Structure Type	BOTH
InChI Key	LQKSHSFQQRCAFW-CCVNJFHASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

837.1

MW (Da)

3.26

ALogP

HBA

HBD

166.2

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 13 meas. best 10.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lymphoma cell line CHEMBL614114	IC50	10.92	10.92	0.0	1
MCF7 CHEMBL387	IC50	10.4	10.4	0.0	1
Panel leukemia (Carcinoma cell lines) CHEMBL614083	IC50	10.0	10.0	0.1	1
L1210 CHEMBL386	IC50	9.89	9.855	0.1	2
HT-29 CHEMBL384	IC50	9.54	9.54	0.3	1
CTLL CHEMBL614565	IC50	8.52	8.52	3.0	1
Jurkat CHEMBL397	IC50	8.3	8.3	5.0	1
Osteoclast-like CHEMBL614359	IC50	7.77	7.77	17.0	1
Plasmodium falciparum CHEMBL364	IC50	6.7	6.7	200.0	1
Tubulin CHEMBL2094134	IC50	4.77	4.77	17000.0	1
Tubulin CHEMBL2095182	IC50	4.64	4.64	23000.0	1
Unchecked CHEMBL612545	IC50	4.64	4.64	23000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lymphoma cell line	IC50	=	0.012	nM	10.92	Antiproliferative effect against human lymphoma cells was determined; (0.012 to ...	-
MCF7	IC50	=	0.04	nM	10.4	Inhibitory activity against growth of MCF-7 cell line	9554885
Panel leukemia (Carcinoma cell lines)	IC50	=	0.1	nM	10.0	Antiproliferative effect against continuous human leukemia cell lines and periph...	-
L1210	IC50	=	0.13	nM	9.89	Inhibitory activity against growth of L1210 cell line	9554885
L1210	IC50	=	0.15	nM	9.82	In vitro growth factor-independent proliferation against murine leukemia L1210 w...	-
HT-29	IC50	=	0.29	nM	9.54	Inhibitory activity against growth of HT-29 cell line	9554885
CTLL	IC50	=	3.0	nM	8.52	In vitro interleukin-2-dependent proliferation of the murine cytotoxlc T cell li...	-
Jurkat	IC50	=	5.0	nM	8.3	In vitro growth factor-independent proliferation against human leukemia T cell l...	-
Osteoclast-like	IC50	=	17.0	nM	7.77	In vitro growth factor-dependent proliferation against murine bone marrow cell w...	-
Plasmodium falciparum	IC50	=	200.0	nM	6.7	Antiplasmodial activity against Plasmodium falciparum after 72 hrs	18334299
Tubulin	IC50	=	17000.0	nM	4.77	In vitro inhibition of tubulin polymerization measured as turbidity formed by ce...	9554885
Unchecked	IC50	=	23000.0	nM	4.64	Inhibition of goat brain tubulin polymerization incubated for 20 mins prior to G...	23445405
Tubulin	IC50	=	23000.0	nM	4.64	Inhibition of tubulin polymerization (unknown origin) pretreated for 15 mins fol...	29431439

PubMed	DOI	Target Context	# Activities
9871690	10.1016/s0960-894x(98)00034-1	P388	1
-	10.1016/S0960-894X(01)80540-0	Osteoclast-like	1
-	10.1016/S0960-894X(01)80540-0	Jurkat	1
-	10.1016/S0960-894X(01)80540-0	CTLL	1
-	10.1016/S0960-894X(01)80540-0	L1210	1
-	10.1016/S0960-894X(01)80540-0	Lymphoma cell line	1
-	10.1016/S0960-894X(01)80540-0	Panel leukemia (Carcinoma cell lines)	1
9554885	10.1021/jm970800t	HT-29	1
9554885	10.1021/jm970800t	MCF7	1
9554885	10.1021/jm970800t	L1210	1
9554885	10.1021/jm970800t	Tubulin	1
18334299	10.1016/j.bmc.2008.02.069	Plasmodium falciparum	1
19161344	10.1021/np8003529	Plasmodium falciparum	1
19161344	10.1021/np8003529	NCI-H460	1
23445405	10.1021/jm3009629	Unchecked	1
29431439	10.1021/acs.jnatprod.7b00964	Tubulin	1

Data from ChEMBL 36 via Core Engine