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Compound Detail

CHEMBL1179722

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NCC(=O)[C@@H]1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179722
Phase Preclinical
Structure Type MOL
InChI Key HLQWRCFXWVIGRH-PHDIDXHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

171.2
MW (Da)
0.02
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.63
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 C8H13NO3
MW 171.20
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.38

Data from ChEMBL 36 via Core Engine