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Compound Detail

CHEMBL272373

MAKALUVAMINE K
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Cn1cc2c3c1C(=O)C(NCCc1ccc(O)cc1)=CC3=NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272373
Name MAKALUVAMINE K
Phase Preclinical
Structure Type MOL
InChI Key MFJASCFAUMWBMV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
1.99
ALogP
5
HBA
2
HBD
66.6
PSA (Ų)
0.90
QED
0
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 C19H19N3O2
MW 321.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.32

Activity Summary

IC50 3 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HeLa
CHEMBL399
 IC50 5.31 5.31 4900.0 1
HL-60
CHEMBL383
 IC50 5.16 5.16 6900.0 1
NCI-H460
CHEMBL396
 IC50 4.97 4.97 10800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HeLa IC50 = 4900.0 nM 5.31 Antiproliferative activity against human HeLa cells after 72 hrs by trypan blue ... 18077173
HL-60 IC50 = 6900.0 nM 5.16 Antiproliferative activity against human HL60 cells after 72 hrs by trypan blue ... 18077173
NCI-H460 IC50 = 10800.0 nM 4.97 Antiproliferative activity against human NCI-H460 cells after 72 hrs by trypan b... 18077173

Literature References

PubMed DOI Target Context # Activities
18077173 10.1016/j.bmc.2007.11.063 HeLa 2
18077173 10.1016/j.bmc.2007.11.063 NCI-H460 1
18077173 10.1016/j.bmc.2007.11.063 HL-60 1
8946754 10.1021/np9604947 P388 1

Data from ChEMBL 36 via Core Engine