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Compound Detail

CHEMBL1180045

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CC(C)C(O)c1ccc(OCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180045
Phase Preclinical
Structure Type MOL
InChI Key SICXMIVAKNWLHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2O2
MW 274.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine