Compound Detail

CHEMBL4297310

DORDAVIPRONE

🧪 Phase III

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🧪 Phase III

Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4297310
Name	DORDAVIPRONE
Phase	Phase III
Structure Type	MOL
InChI Key	VLULRUCCHYVXOH-UHFFFAOYSA-N

Known Names

Dordaviprona Dordaviprone NSC-350625 Onc 201 Onc-201 Onc201 TIC-10 TIC10

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

386.5

MW (Da)

3.17

ALogP

HBA

HBD

39.1

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-iprone
USAN Year	2023

Extended Properties

Molecular Formula	C24H26N4O
MW	386.50
Aromatic Rings	2
Heavy Atoms	29
NP-Likeness	-0.93

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Unknown	-	-	✓	✓

Indications

Paraganglioma Breast Neoplasms Endometrial Neoplasms Glioblastoma Neuroendocrine Tumors Diffuse Intrinsic Pontine Glioma Gliosarcoma Leukemia, Myeloid, Acute Meningioma Multiple Myeloma Myelodysplastic Syndromes Neoplasms Precursor Cell Lymphoblastic Leukemia-Lymphoma

Activity Summary

IC50 49 meas. best 6.52

EC50 11 meas. best 7.92

Kd 2 meas. best 4.55

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATP-dependent Clp protease proteolytic subunit, mitochondrial CHEMBL4523305	EC50	7.92	5.9157	12.0	7
SUM-159-PT CHEMBL4483269	IC50	6.52	6.145	300.0	2
Unchecked CHEMBL612545	IC50	6.16	5.7733	700.0	3
Z-138 CHEMBL4483276	IC50	6.0	6.0	1000.0	2
HEK-293T CHEMBL3706568	IC50	6.0	6.0	1000.0	1
OCI-AML-3 CHEMBL4296479	IC50	5.92	5.92	1200.0	2
HCT-116 CHEMBL394	IC50	5.91	5.5233	1220.0	3
KLE CHEMBL2366239	IC50	5.86	5.86	1390.0	1
HL-60 CHEMBL383	IC50	5.8	5.8	1600.0	1
USPC-ARK-1 CHEMBL6066748	IC50	5.8	5.51	1590.0	2
HEC-1-A CHEMBL4296424	IC50	5.78	5.78	1670.0	1
SPEC-2 CHEMBL6066750	IC50	5.74	5.33	1810.0	2
MV4-11 CHEMBL613835	IC50	5.68	5.5633	2100.0	3
MV4-11 CHEMBL613835	EC50	5.64	5.17	2300.0	2
OCI-AML2 CHEMBL2366220	IC50	5.62	5.62	2400.0	1
Raji CHEMBL614628	IC50	5.61	5.61	2480.0	1
MIA PaCa-2 CHEMBL614725	IC50	5.58	5.58	2600.0	1
ECC-1 CHEMBL6066738	IC50	5.54	5.54	2890.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	5.43	5.43	3710.0	1
Ishikawa CHEMBL614649	IC50	5.4	5.4	4010.0	1
DLD-1 CHEMBL614285	IC50	5.26	5.26	5460.0	1
MOLM-14 CHEMBL3706570	IC50	5.2	5.2	6300.0	1
MOLM-13 CHEMBL3706572	IC50	5.12	5.12	7500.0	1
Cytochrome P450 2D6 CHEMBL289	IC50	5.11	5.11	7730.0	1
NCI-H3122 CHEMBL4296475	IC50	5.06	5.06	8700.0	1
PC-3 CHEMBL390	IC50	5.05	5.05	8900.0	1
MDA-MB-468 CHEMBL614335	IC50	5.05	5.05	8900.0	1
SW-620 CHEMBL612262	IC50	5.04	5.04	9170.0	1
HepG2 CHEMBL395	IC50	5.01	5.01	9800.0	1
HCT-15 CHEMBL612263	IC50	5.0	5.0	10100.0	1
MDA-MB-231 CHEMBL400	IC50	5.0	4.92	10000.0	2
A549 CHEMBL392	IC50	5.0	5.0	10070.0	1
SW480 CHEMBL612544	IC50	4.98	4.98	10550.0	1
Cytochrome P450 3A4 CHEMBL340	IC50	4.97	4.97	10600.0	1
Unchecked CHEMBL612545	EC50	4.9	4.9	12500.0	1
THP-1 CHEMBL614245	IC50	4.84	4.84	14400.0	1
COLO 205 CHEMBL614561	IC50	4.82	4.82	15100.0	1
ATP-dependent Clp protease proteolytic subunit, mitochondrial CHEMBL4523305	Kd	4.55	4.55	28200.0	1
RS4-11 CHEMBL2366159	IC50	4.5	4.5	31400.0	1
HT-29 CHEMBL384	IC50	4.46	4.46	35000.0	1
Probable G-protein coupled receptor 132 CHEMBL3085618	EC50	4.41	4.41	38600.0	1
KYSE-140 CHEMBL1075484	IC50	4.24	4.24	58100.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	1959.4	ng.hr.mL-1	Rattus norvegicus
AUC	894.2	ng.hr.mL-1	Rattus norvegicus
AUC	1407.69	ng.hr.mL-1	Rattus norvegicus
AUC	1510.32	ng.hr.mL-1	Rattus norvegicus
CL	187.2	mL.min-1.kg-1	Homo sapiens
CL	237.2	mL.min-1.kg-1	Rattus norvegicus
CL	42.66	mL.min-1.kg-1	Rattus norvegicus
CL	222.1	mL.min-1.kg-1	Homo sapiens
Cmax	7164.29	nM	Rattus norvegicus
Cmax	1463.91	nM	Rattus norvegicus
Cmax	739.97	nM	Rattus norvegicus
F	15.3	%	Rattus norvegicus
MRT	0.9	hr	Rattus norvegicus
MRT	1.5	hr	Rattus norvegicus
MRT	7.06	hr	Rattus norvegicus
T1/2	9.3	hr	Homo sapiens
T1/2	10.5	hr	Rattus norvegicus
T1/2	0.9	hr	Rattus norvegicus
T1/2	1.1	hr	Rattus norvegicus
T1/2	0.2667	hr	Homo sapiens
T1/2	5.44	hr	Rattus norvegicus
Tmax	0.4	hr	Rattus norvegicus
Tmax	0.8	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATP-dependent Clp protease proteolytic subunit, mitochondrial	EC50	=	12.02	nM	7.92	Agonist activity at human ClpP expressed in Escherichia coli using AC-WLA-AMC as...	38329974
SUM-159-PT	IC50	=	300.0	nM	6.52	Cytotoxicity against human SUM159 cells	37974956
Unchecked	IC50	=	700.0	nM	6.16	Cytotoxicity against human TEX cells	37974956
Unchecked	IC50	=	700.0	nM	6.16	Cytotoxicity against human TEX cells assessed as cell growth inhibition measured...	33656892
Z-138	IC50	=	1000.0	nM	6.0	Cytotoxicity against human Z138 cells	37974956
HEK-293T	IC50	=	1000.0	nM	6.0	Cytotoxicity against HEK293-T-REx cells	37974956
Z-138	IC50	=	1000.0	nM	6.0	Cytotoxicity against human Z138 cells assessed as cell growth inhibition at 5 uM...	33656892
ATP-dependent Clp protease proteolytic subunit, mitochondrial	EC50	=	1000.0	nM	6.0	Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia ...	35609303
OCI-AML-3	IC50	=	1200.0	nM	5.92	Cytotoxicity against human OCI-AML-3 cells	37974956
OCI-AML-3	IC50	=	1200.0	nM	5.92	Cytotoxicity against human OCI-AML-3 cells assessed as cell growth inhibition me...	33656892
HCT-116	IC50	=	1220.0	nM	5.91	Antiproliferative activity against human HCT-116 cells assessed as inhibition of...	35649291
KLE	IC50	=	1390.0	nM	5.86	Antiproliferative activity against human KLE cells assessed as reduction in cell...	38911148
ATP-dependent Clp protease proteolytic subunit, mitochondrial	EC50	=	1490.0	nM	5.83	Agonist activity at human Casein lysing protease P (HsClpP) assessed as proteoly...	38620134
HL-60	IC50	=	1600.0	nM	5.8	Antiproliferative activity against human HL-60 cells assessed as inhibition of c...	39172943
USPC-ARK-1	IC50	=	1590.0	nM	5.8	Antiproliferative activity against human USPC-ARK-1 cells assessed as reduction ...	38911148
HEC-1-A	IC50	=	1670.0	nM	5.78	Antiproliferative activity against human HEC-1-A cells assessed as reduction in ...	38911148
SUM-159-PT	IC50	=	1700.0	nM	5.77	Cytotoxicity against human SUM159PT cells assessed as cell growth inhibition mea...	33656892
ATP-dependent Clp protease proteolytic subunit, mitochondrial	EC50	=	1720.0	nM	5.76	Activation of human recombinant his-sumo tagged ClpP expressed in Escherichia co...	39172943
SPEC-2	IC50	=	1810.0	nM	5.74	Antiproliferative activity against human SPEC-2 cells assessed as reduction in c...	38911148
MV4-11	IC50	=	2100.0	nM	5.68	Anti-leukemia activity against human MV4-11 cells assessed as decrease in cell p...	38620134

Literature References

PubMed	DOI	Target Context	# Activities
35609303	10.1021/acs.jmedchem.1c02071	HCT-116	21
39172943	10.1021/acs.jmedchem.4c00798	ADMET	16
38329974	10.1021/acs.jmedchem.3c01950	ADMET	14
39172943	10.1021/acs.jmedchem.4c00798	MIA PaCa-2	8
35609303	10.1021/acs.jmedchem.1c02071	ATP-dependent Clp protease proteolytic subunit, mitochondrial	7
38620134	10.1021/acs.jmedchem.4c00338	ATP-dependent Clp protease proteolytic subunit, mitochondrial	6
35649291	10.1016/j.ejmech.2022.114484	HCT-116	5
30783502	10.1021/acsmedchemlett.8b00531	PC-3	5
38620134	10.1021/acs.jmedchem.4c00338	MV4-11	4
35609303	10.1021/acs.jmedchem.1c02071	Unchecked	4
38329974	10.1021/acs.jmedchem.3c01950	ATP-dependent Clp protease proteolytic subunit	4
35609303	10.1021/acs.jmedchem.1c02071	ADMET	4
39172943	10.1021/acs.jmedchem.4c00798	Unchecked	3
30783502	10.1021/acsmedchemlett.8b00531	MDA-MB-468	3
38917049	10.1021/acs.jmedchem.3c02164	ML-2	2
35609303	10.1021/acs.jmedchem.1c02071	No relevant target	2
38911148	10.1039/d4md00089g	SPEC-2	2
38911148	10.1039/d4md00089g	ECC-1	2
33656892	10.1021/acs.jmedchem.0c01640	Unchecked	2
38911148	10.1039/d4md00089g	KLE	2

Data from ChEMBL 36 via Core Engine