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Compound Detail

CHEMBL1181946

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COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181946
Phase Preclinical
Structure Type MOL
InChI Key LTQHQDIRLBDYQH-DQLGPHAMSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.9
MW (Da)
2.29
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25ClN3O2+
MW 338.86
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine