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Compound Detail

CHEMBL1188483

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Ic1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188483
Phase Preclinical
Structure Type MOL
InChI Key WTDMNEAQDCUYSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.2
MW (Da)
2.86
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17IN2O2
MW 384.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine