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Compound Detail

CHEMBL316933

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NCCNc1ccc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316933
Phase Preclinical
Structure Type MOL
InChI Key ZETBPZAUNUEYSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
1.61
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3
MW 187.25
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
10649984 10.1021/jm990437l Ferriprotoporphyrin IX 1
10649984 10.1021/jm990437l Histidine-rich protein PFHRP-II 1
10649984 10.1021/jm990437l Plasmodium falciparum 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine