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Compound Detail

CHEMBL3828327

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C(=C/c1ccccc1)\CNCc1ccc2c(c1)CCCCC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828327
Phase Preclinical
Structure Type MOL
InChI Key FHZZISJNNILBGX-HCUGZAAXSA-N
Parent Compound CHEMBL3828783
Active Moiety CHEMBL3828783
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
4.76
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN
MW 327.90
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
27139780 10.1021/acs.jmedchem.6b00122 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) 1

Data from ChEMBL 36 via Core Engine