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Compound Detail

CHEMBL1196748

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O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196748
Phase Preclinical
Structure Type MOL
InChI Key LMEQMRJMINUGJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.4
MW (Da)
4.47
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29IN2O2
MW 504.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine