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Compound Detail

CHEMBL4302808

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C[N+](C)(C)CCCNCc1ccc(-c2ccc(Cl)cc2Br)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302808
Phase Preclinical
Structure Type MOL
InChI Key JYNFKAYQORLSFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.7
MW (Da)
4.55
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23BrClN2O+
MW 386.74
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine