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Compound Detail

CHEMBL403166

DIAZONAMIDE A
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CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403166
Name DIAZONAMIDE A
Phase Preclinical
Structure Type MOL
InChI Key YKBUODYYSZSEIY-UDLVDJHXSA-N
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

765.6
MW (Da)
7.11
ALogP
9
HBA
5
HBD
167.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C40H34Cl2N6O6
MW 765.65
Aromatic Rings 6
Heavy Atoms 54
NP-Likeness 0.81

Activity Summary

IC50 10 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 8.3 8.3 5.0 2
PC-3
CHEMBL390
 IC50 8.3 8.3 5.0 2
A549
CHEMBL392
 IC50 8.3 8.3 5.0 2
A2780
CHEMBL614004
 IC50 8.3 8.3 5.0 1
1A9
CHEMBL614075
 IC50 8.3 8.3 5.0 2
1A9/ptx-10
CHEMBL614509
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
1A9 IC50 = 5.0 nM 8.3 Inhibitory concentration against 1A9 human ovarian carcinoma cell line; Range is... 16134928
PC-3 IC50 = 5.0 nM 8.3 Inhibitory concentration against PC-3 human prostate carcinoma cell line; Range ... 16134928
MCF7 IC50 = 5.0 nM 8.3 Inhibitory concentration against MCF-7 human breast carcinoma cell line; Range i... 16134928
A549 IC50 = 5.0 nM 8.3 Inhibitory concentration against A549 human lung carcinoma cell line; Range is 2... 16134928
1A9 IC50 = 5.0 nM 8.3 Inhibitory concentration against 1A9 human ovarian carcinoma cell line; Range is... 16134928
PC-3 IC50 = 5.0 nM 8.3 Inhibitory concentration against PC-3 human prostate carcinoma cell line; Range ... 16134928
MCF7 IC50 = 5.0 nM 8.3 Inhibitory concentration against MCF-7 human breast carcinoma cell line; Range i... 16134928
A549 IC50 = 5.0 nM 8.3 Inhibitory concentration against A549 human lung carcinoma cell line; Range is 2... 16134928
A2780 IC50 = 5.0 nM 8.3 Inhibitory concentration against A2780/AD10 cell line; Range is 2-5 nM 16134928
1A9/ptx-10 IC50 = 5.0 nM 8.3 Inhibitory concentration against 1A9/PTX10 cell line; Range is 2-5 nM 16134928

Literature References

PubMed DOI Target Context # Activities
17287350 10.1073/pnas.0610832104 HeLa 4
16134928 10.1021/jm050524f PC-3 2
16134928 10.1021/jm050524f MCF7 2
16134928 10.1021/jm050524f A549 2
16134928 10.1021/jm050524f 1A9 2
38833507 10.1021/acs.jmedchem.4c00388 SN12C 1
38833507 10.1021/acs.jmedchem.4c00388 RXF 393 1
38833507 10.1021/acs.jmedchem.4c00388 OVCAR-8 1
38833507 10.1021/acs.jmedchem.4c00388 UACC-62 1
38833507 10.1021/acs.jmedchem.4c00388 SK-MEL-2 1
38833507 10.1021/acs.jmedchem.4c00388 MDA-MB-435 1
38833507 10.1021/acs.jmedchem.4c00388 SNB-75 1
38833507 10.1021/acs.jmedchem.4c00388 COLO 205 1
38833507 10.1021/acs.jmedchem.4c00388 RPMI-8226 1
38833507 10.1021/acs.jmedchem.4c00388 SR 1
1812209 10.1021/np50078a001 B16 1
1812209 10.1021/np50078a001 HCT-116 1
17287350 10.1073/pnas.0610832104 U2OS 1
17287350 10.1073/pnas.0610832104 Ornithine aminotransferase, mitochondrial 1
16134928 10.1021/jm050524f 1A9/ptx-10 1

Data from ChEMBL 36 via Core Engine