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Compound Detail

CHEMBL3041291

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CC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3041291
Phase Preclinical
Structure Type MOL
InChI Key NOPKVYCAVVVHFN-CIICKYDJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.5
MW (Da)
4.15
ALogP
1
HBA
0
HBD
12.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H35N2+
MW 279.49
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine