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Compound Detail

CHEMBL449905

MAKALUVAMINE A
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Cn1cc2c3c1C(=O)C(N)=CC3=NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449905
Name MAKALUVAMINE A
Phase Preclinical
Structure Type MOL
InChI Key RUIRYCQUTHWLMZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
0.41
ALogP
4
HBA
1
HBD
60.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3O
MW 201.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 2.05

Activity Summary

IC50 2 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
XRS6
CHEMBL614060
 IC50 7.1 7.1 80.0 1
Unchecked
CHEMBL612545
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
XRS6 IC50 = 80.0 nM 7.1 Cytotoxicity against Chinese hamster Xrs-6 cells 22686608
Unchecked IC50 = 5000.0 nM 5.3 Inhibition of HIV1 env protein assessed as inhibition of env expressing african ... 12027767

Literature References

PubMed DOI Target Context # Activities
12027767 10.1021/np010581l Unchecked 2
8691207 10.1021/np50126a008 HCT-116 1
8691207 10.1021/np50126a008 DNA topoisomerase 2-alpha 1
8946754 10.1021/np9604947 P388 1
22686608 10.1021/jm3002795 DNA topoisomerase 2-alpha 1
22686608 10.1021/jm3002795 HCT-116 1
22686608 10.1021/jm3002795 XRS6 1

Data from ChEMBL 36 via Core Engine