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Compound Detail

CHEMBL1194556

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COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194556
Phase Preclinical
Structure Type MOL
InChI Key HKBNGEJJECJLOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
1.95
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O4
MW 331.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine