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Compound Detail

CHEMBL1187241

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CN1[C@H]2CC[C@@H]1[C@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187241
Phase Preclinical
Structure Type MOL
InChI Key KNYSPQPHDQPIRR-GBJTYRQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
5.54
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18Br2ClN
MW 419.59
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine