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Compound Detail

CHEMBL2078928

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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/c2cc(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)cc[n+]2CCO)C(C)(C)CCC1

Basic Information

ChEMBL ID CHEMBL2078928
Phase Preclinical
Structure Type MOL
InChI Key WPWFMRDPTDEJJA-FAXVYDRBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.9
MW (Da)
11.00
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H58NO+
MW 592.93
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness 1.07

Data from ChEMBL 36 via Core Engine