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Compound Detail

CHEMBL1181167

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CC[N+](C)(C)CC#CCN1C(=O)CCC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181167
Phase Preclinical
Structure Type MOL
InChI Key NNSCGZRCMFGKNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
1.10
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H23N2O+
MW 223.34
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine