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Compound Detail

CHEMBL1732171

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O=C1OC(c2ccccc2)C2(CCCC2)C(=O)C12CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1732171
Phase Preclinical
Structure Type MOL
InChI Key OAPCIDDDYFWMLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.97
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O3
MW 298.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.81

Data from ChEMBL 36 via Core Engine