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Compound Detail

CHEMBL2158884

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CC(=O)NCCNC(=O)Nc1cnc2cc(C)ccn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158884
Phase Preclinical
Structure Type MOL
InChI Key NMAQFDGWEZZHSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
0.26
ALogP
5
HBA
3
HBD
104.6
PSA (Ų)
0.70
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 C14H17N5O3
MW 303.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine