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Compound Detail

CHEMBL4639318

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Cc1n[nH]c(-c2cc3ncccc3c(-c3ccccc3)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639318
Phase Preclinical
Structure Type MOL
InChI Key IPTCCCFVZDMHDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.39
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N5
MW 287.33
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
32663005 10.1021/acs.jmedchem.0c00705 No relevant target 2
32663005 10.1021/acs.jmedchem.0c00705 Leishmania donovani 1
32663005 10.1021/acs.jmedchem.0c00705 THP-1 1
32663005 10.1021/acs.jmedchem.0c00705 ADMET 1

Data from ChEMBL 36 via Core Engine