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Compound Detail

CHEMBL5282213

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Cn1c(NC2CCN(CCc3ccc(C(=O)N4CCC(C)(O)C4)cc3)CC2)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282213
Phase Preclinical
Structure Type MOL
InChI Key DHDWMMNHXRWMEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
3.29
ALogP
6
HBA
2
HBD
73.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N5O2
MW 461.61
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
36507890 10.1021/acs.jmedchem.2c01516 Plasmodium falciparum 1
36507890 10.1021/acs.jmedchem.2c01516 No relevant target 1

Data from ChEMBL 36 via Core Engine