Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL411767

ARCHAZOLID B
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL411767
Name ARCHAZOLID B
Phase Preclinical
Structure Type MOL
InChI Key BYVUBCIRZIXXCV-OZCJWKDYSA-N
5
Targets
5
Activities
2
Assay Types
6
PK Parameters
19
Publications
0
Known Names

Molecular Properties

725.0
MW (Da)
8.67
ALogP
9
HBA
3
HBD
127.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C41H60N2O7S
MW 725.01
Aromatic Rings 1
Heavy Atoms 51
NP-Likeness 1.57

Activity Summary

IC50 4 meas. best 9.84
Ki 1 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.84 9.84 0.1 1
L929
CHEMBL612267
 IC50 8.96 8.96 1.1 1
Neutrophil elastase
CHEMBL248
 IC50 6.5 6.5 316.0 1
P2X purinoceptor 3
CHEMBL2998
 IC50 6.45 6.45 353.0 1
Adenosine receptor A3
CHEMBL256
 Ki 5.93 5.93 1180.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 495.0 mL.min-1.g-1 Mus musculus
CL 301.0 mL.min-1.g-1 Rattus norvegicus
CL 533.0 mL.min-1.g-1 Homo sapiens
T1/2 0.04667 hr Mus musculus
T1/2 0.07667 hr Rattus norvegicus
T1/2 0.04333 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.145 nM 9.84 Growth inhibition of human 1321N1 cells incubated for 72 hrs by MTT assay 31990540
L929 IC50 = 1.1 nM 8.96 Growth inhibition of mouse L929 cells by MTT assay 17239591
Neutrophil elastase IC50 = 316.0 nM 6.5 Inhibition of human leukocyte elastase assessed as reduction in pNA release usin... 31990540
P2X purinoceptor 3 IC50 = 353.0 nM 6.45 Inhibition of human P2X3 assessed as reduction in agonist-induced intracellular ... 31990540
Adenosine receptor A3 Ki = 1180.0 nM 5.93 Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cel... 31990540

Literature References

PubMed DOI Target Context # Activities
31990540 10.1021/acs.jmedchem.9b01887 ADMET 13
31990540 10.1021/acs.jmedchem.9b01887 Cytochrome P450 3A4 2
31990540 10.1021/acs.jmedchem.9b01887 Cytochrome P450 2C19 2
31990540 10.1021/acs.jmedchem.9b01887 Cytochrome P450 2C9 2
31990540 10.1021/acs.jmedchem.9b01887 P2X purinoceptor 3 2
31990540 10.1021/acs.jmedchem.9b01887 Unchecked 2
31990540 10.1021/acs.jmedchem.9b01887 No relevant target 2
31990540 10.1021/acs.jmedchem.9b01887 Procathepsin L 1
31990540 10.1021/acs.jmedchem.9b01887 Cytochrome P450 2D6 1
31990540 10.1021/acs.jmedchem.9b01887 Cytochrome P450 2B6 1
31990540 10.1021/acs.jmedchem.9b01887 Cytochrome P450 1A2 1
31990540 10.1021/acs.jmedchem.9b01887 Chymotrypsin 1
17239591 10.1016/j.bmcl.2006.12.073 L929 1
31990540 10.1021/acs.jmedchem.9b01887 Cathepsin B 1
31990540 10.1021/acs.jmedchem.9b01887 Trypsin 1
31990540 10.1021/acs.jmedchem.9b01887 Adenosine receptor A3 1
31990540 10.1021/acs.jmedchem.9b01887 Neutrophil elastase 1
21513292 10.1021/np200036v V-type proton ATPase subunit B 1
21513292 10.1021/np200036v L929 1

Data from ChEMBL 36 via Core Engine