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Compound Detail

CHEMBL606879

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CC1(C)[C@@H](n2cnc3ccccc3c2=O)C=C[C@@H]2[C@@H](O)CCCN21

Basic Information

ChEMBL ID CHEMBL606879
Phase Preclinical
Structure Type MOL
InChI Key OZBWFXXASLWIRC-IKGGRYGDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.11
ALogP
5
HBA
1
HBD
58.4
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 C19H23N3O2
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.43

Activity Summary

EC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 4800.0 nM 5.32 In vitro antimalarial activity against the Plasmodium falciparum FCR3 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