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Compound Detail

CHEMBL4116731

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O=C(O)c1cc([C@H]2CCN[C@@H]2C(=O)O)ccc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116731
Phase Preclinical
Structure Type MOL
InChI Key YAFQNGQPRUJZIB-XCBNKYQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.1
MW (Da)
1.68
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.79
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 C12H12BrNO4
MW 314.13
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.39

Data from ChEMBL 36 via Core Engine