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Compound Detail

CHEMBL1187667

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Cc1c(C)c2ccc(OCCCOc3cc(O)cc([N+](C)(C)C)c3)cc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187667
Phase Preclinical
Structure Type MOL
InChI Key VSMMAJBKBSEGTH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.16
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.37
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 C23H28NO5+
MW 398.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine