Compound Detail

CHEMBL371358

GOIAZENSOLIDE

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C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL371358
Name	GOIAZENSOLIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	HTMCLLSRQWRPTN-OKMRAYSCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.4

MW (Da)

1.14

ALogP

HBA

HBD

99.1

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 14 meas. best 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	7.16	7.16	70.0	1
Leishmania donovani CHEMBL367	IC50	6.35	6.35	450.0	1
HT-29 CHEMBL384	IC50	6.25	6.25	560.0	2
Transcriptional activator Myb CHEMBL2380186	IC50	6.2	6.2	625.2	2
MOLM-13 CHEMBL3706572	IC50	6.07	6.07	860.0	1
Unchecked CHEMBL612545	IC50	6.0	6.0	1000.0	2
Trypanosoma cruzi CHEMBL368	IC50	5.97	5.97	1080.0	1
EOL1 CHEMBL614489	IC50	5.96	5.96	1100.0	1
ADMET CHEMBL612558	IC50	5.0	5.0	10050.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	70.0	nM	7.16	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 trypoma...	30145372
Leishmania donovani	IC50	=	450.0	nM	6.35	Antileishmanial activity against Leishmania donovani amastigotes	30145372
HT-29	IC50	=	560.0	nM	6.25	Cytotoxicity against human HT-29 cells after 72 hrs by MTS assay	29350920
HT-29	IC50	=	560.0	nM	6.25	Antiproliferative activity against human HT-29 cells assessed as reduction in ce...	30830783
Transcriptional activator Myb	IC50	=	625.17	nM	6.2	Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken ...	23501116
Transcriptional activator Myb	IC50	=	630.0	nM	6.2	Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken ...	23501116
MOLM-13	IC50	=	860.0	nM	6.07	Cytotoxicity against human MOLM13 cells after 72 hrs by MTS assay	29350920
Unchecked	IC50	=	1000.0	nM	6.0	Antiproliferative activity against mouse Sch10545 cells incubated for 72 hrs by ...	30830783
Unchecked	IC50	=	1000.0	nM	6.0	Antiproliferative activity against human Ben-Men-1 cells incubated for 72 hrs by...	30830783
Trypanosoma cruzi	IC50	=	1080.0	nM	5.97	Antitrypanosomal activity against Trypanosoma cruzi trypomastigotes	30145372
EOL1	IC50	=	1100.0	nM	5.96	Cytotoxicity against human EOL-1 cells after 72 hrs by MTS assay	29350920
ADMET	IC50	=	10050.0	nM	5.0	Cytotoxicity against chicken HD11 cells assessed as cell viability after 24 hrs ...	23501116

PubMed	DOI	Target Context	# Activities
29350920	10.1021/acs.jnatprod.7b01079	MOLM-13	15
29350920	10.1021/acs.jnatprod.7b01079	EOL1	15
30145372	10.1016/j.ejmech.2018.08.033	Dihydroorotate dehydrogenase (fumarate)	8
35772286	10.1016/j.bmc.2022.116883	Vimentin	2
35772286	10.1016/j.bmc.2022.116883	Influenza A virus	2
23501116	10.1016/j.ejmech.2013.02.018	Transcriptional activator Myb	2
29350920	10.1021/acs.jnatprod.7b01079	Transcription factor p65	2
15537359	10.1021/jm049937r	Nuclear factor NF-kappa-B complex	2
30830783	10.1021/acs.jnatprod.9b00018	Unchecked	2
30145372	10.1016/j.ejmech.2018.08.033	Trypanosoma cruzi	1
35772286	10.1016/j.bmc.2022.116883	A549	1
35772286	10.1016/j.bmc.2022.116883	Importin-5	1
35772286	10.1016/j.bmc.2022.116883	Annexin A2	1
30830783	10.1021/acs.jnatprod.9b00018	HT-29	1
30145372	10.1016/j.ejmech.2018.08.033	Leishmania donovani	1
30145372	10.1016/j.ejmech.2018.08.033	Trypanosoma brucei rhodesiense	1
29350920	10.1021/acs.jnatprod.7b01079	HT-29	1
23501116	10.1016/j.ejmech.2013.02.018	ADMET	1
22280816	10.1016/j.ejmech.2011.12.029	Mycobacterium tuberculosis	1
16570920	10.1021/jm051125n	Transcription factor p65	1

Data from ChEMBL 36 via Core Engine