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Compound Detail

CHEMBL2013148

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CN(C)CCCOc1nn(Cc2ccccc2F)c2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2013148
Phase Preclinical
Structure Type MOL
InChI Key QIBQTZCNHZKHNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.46
ALogP
6
HBA
0
HBD
73.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN4O3
MW 372.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
22000935 10.1016/j.ejmech.2011.07.053 Danio rerio 7

Data from ChEMBL 36 via Core Engine