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Compound Detail

CHEMBL1962871

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O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962871
Phase Preclinical
Structure Type MOL
InChI Key MHQPBUWHSSMQHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.62
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO2
MW 385.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine