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Compound Detail

CHEMBL485494

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C[n+]1c2ccccc2c(NCCO)c2[nH]c3ccccc3c21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485494
Phase Preclinical
Structure Type MOL
InChI Key PIDHJPVKNNEUCI-UHFFFAOYSA-N
Parent Compound CHEMBL1186986
Active Moiety CHEMBL1186986
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
2.70
ALogP
2
HBA
3
HBD
51.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18IN3O
MW 419.27
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
18821749 10.1021/jm800497p Unchecked 3
28530833 10.1021/acs.jmedchem.6b01444 Unchecked 1

Data from ChEMBL 36 via Core Engine