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Compound Detail

CHEMBL1622287

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CC1(C)CC(N2CCCC2)=CC(=[N+]2CCCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622287
Phase Preclinical
Structure Type MOL
InChI Key JHLURTREAGIFPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.4
MW (Da)
3.03
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N2+
MW 247.41
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine