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Compound Detail

CHEMBL4787701

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[N-]=[N+]=NCCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4787701
Phase Preclinical
Structure Type MOL
InChI Key MWQKBDNGRPIODZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.12
ALogP
6
HBA
1
HBD
141.5
PSA (Ų)
0.19
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O5
MW 427.46
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.04

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