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Compound Detail

CHEMBL1092594

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O=C(c1ccc(Br)s1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092594
Phase Preclinical
Structure Type MOL
InChI Key HEIYORQOTBTUHY-IAGOWNOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.93
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.77
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 C20H22BrNO2S
MW 420.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine