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Compound Detail

CHEMBL277554

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Cc1ccnc(NC(=O)C2CCNCC2)c1

Basic Information

ChEMBL ID CHEMBL277554
Phase Preclinical
Structure Type MOL
InChI Key IWLKNRXWKYRFCK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
1.33
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3O
MW 219.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.59

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
17391963 10.1016/j.bmcl.2007.03.042 Baculoviral IAP repeat-containing protein 5 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine