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Compound Detail

CHEMBL9575

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CN(C)CCNC(=O)c1cccc2cccnc12

Basic Information

ChEMBL ID CHEMBL9575
Phase Preclinical
Structure Type MOL
InChI Key SIWQJQCKOITZLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
1.53
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O
MW 243.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
3361574 10.1021/jm00400a029 Mus musculus 3
3351846 10.1021/jm00399a003 P388 2
3361574 10.1021/jm00400a029 Nucleic Acid 2
3351846 10.1021/jm00399a003 Calf thymus DNA 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513161 Candida albicans 1
- 10.6019/CHEMBL4513161 HEK293 1
- 10.6019/CHEMBL4513161 Erythrocyte 1
- 10.6019/CHEMBL4513161 Staphylococcus aureus 1
- 10.6019/CHEMBL4513161 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513161 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513161 Escherichia coli 1
- 10.6019/CHEMBL4513161 Cryptococcus neoformans 1
3361574 10.1021/jm00400a029 L1210 1
3361574 10.1021/jm00400a029 No relevant target 1
3351846 10.1021/jm00399a003 L1210 1
3351846 10.1021/jm00399a003 No relevant target 1

Data from ChEMBL 36 via Core Engine