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Compound Detail

CHEMBL3948859

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O=C(CN1CCN(c2ccnc3ccccc23)CC1)NCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3948859
Phase Preclinical
Structure Type MOL
InChI Key OLUMIRZFIYHPHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.07
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O
MW 361.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
27371925 10.1016/j.ejmech.2016.06.042 DNA gyrase subunit B 1
27371925 10.1016/j.ejmech.2016.06.042 Unchecked 1
27371925 10.1016/j.ejmech.2016.06.042 NON-PROTEIN TARGET 1
27371925 10.1016/j.ejmech.2016.06.042 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine