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Compound Detail

CHEMBL1092887

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Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3ccc(Br)cc3)CC1)[C@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092887
Phase Preclinical
Structure Type MOL
InChI Key YZOAQWIBHPFHBP-NHCUHLMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
3.45
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.58
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 C22H25BrN2O2
MW 429.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine