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Compound Detail

CHEMBL1195461

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O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195461
Phase Preclinical
Structure Type MOL
InChI Key HHWKRRPTCYPMFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
5.53
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30INO2
MW 503.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine