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Compound Detail

CHEMBL1189662

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O=C(OCCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189662
Phase Preclinical
Structure Type MOL
InChI Key GAFACYIEQRDXLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
6.48
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39NO2
MW 433.64
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine