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Compound Detail

CHEMBL454072

MAKALUVAMINE H
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Cn1cc2c3c1C(=O)C(N)=CC3=[N+](C)CC2.O=C([O-])C(F)(F)F

Basic Information

ChEMBL ID CHEMBL454072
Name MAKALUVAMINE H
Phase Preclinical
Structure Type MOL
InChI Key RSEQSIHJWSQOOD-UHFFFAOYSA-N
Parent Compound CHEMBL465308
Active Moiety CHEMBL465308
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

216.3
MW (Da)
0.05
ALogP
3
HBA
1
HBD
51.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14F3N3O3
MW 329.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 2.32

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
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
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 DNA topoisomerase 2-alpha 1
8691207 10.1021/np50126a008 HCT-116 1

Data from ChEMBL 36 via Core Engine