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

CHEMBL606712

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
CC1(C)[C@@H](n2cnc3ccccc3c2=O)[C@@H](O)C[C@@H]2[C@@H](O)CCCN21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL606712
Phase Preclinical
Structure Type MOL
InChI Key CTAIXJFLHBHSCR-QZWWFDLISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
1.31
ALogP
6
HBA
2
HBD
78.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N3O3
MW 343.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.45

Activity Summary

EC50 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.4 6.4 400.0 1
FM3A
CHEMBL614297
 EC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 400.0 nM 6.4 In vitro antimalarial activity against the Plasmodium falciparum FCR3 12036365
FM3A EC50 = 2800.0 nM 5.55 In vitro cytotoxicity against mouse mammary FM3A cells 12036365

Literature References

PubMed DOI Target Context # Activities
12036365 10.1021/jm010448q FM3A 2
12036365 10.1021/jm010448q Unchecked 1

Data from ChEMBL 36 via Core Engine