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Compound Detail

CHEMBL4751054

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[N-]=[N+]=NCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4751054
Phase Preclinical
Structure Type MOL
InChI Key GQFFVQOOOJFWFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
1.95
ALogP
6
HBA
1
HBD
141.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N5O5
MW 385.38
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
31945665 10.1016/j.ejmech.2019.112028 Cytochrome P450 1B1 1
31945665 10.1016/j.ejmech.2019.112028 Cytochrome P450 1A2 1
31945665 10.1016/j.ejmech.2019.112028 Unchecked 1

Data from ChEMBL 36 via Core Engine