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Compound Detail

CHEMBL1078088

PARAZOANTHINE B
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N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2ccc(O)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078088
Name PARAZOANTHINE B
Phase Preclinical
Structure Type MOL
InChI Key BRHUBARRWPTWNX-MMYPVXKMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
0.67
ALogP
4
HBA
5
HBD
131.5
PSA (Ų)
0.18
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5O3
MW 315.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.16

Activity Summary

IC50 1 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-X-C chemokine receptor type 4
CHEMBL2107
 IC50 8.03 8.03 9.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-X-C chemokine receptor type 4 IC50 = 9.3 nM 8.03 Inhibition of CXCR4 receptor (unknown origin) 38879970

Literature References

PubMed DOI Target Context # Activities
19708637 10.1021/np900437y MDA-MB-231 1
19708637 10.1021/np900437y HT-29 1
19708637 10.1021/np900437y A549 1
19708637 10.1021/np900437y Plasmodium falciparum 1
38879970 10.1016/j.ejmech.2024.116594 C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine