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Compound Detail

CHEMBL1431216

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O=C(NNC(=O)c1cccc(Br)c1)C(=O)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1431216
Phase Preclinical
Structure Type MOL
InChI Key NUOBYZPDBSUVHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
1.22
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16BrN3O3
MW 354.20
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.84

Data from ChEMBL 36 via Core Engine