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Compound Detail

CHEMBL1187449

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NC[C@H]1C[C@@H]1c1cccc(-c2ccc(Cl)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187449
Phase Preclinical
Structure Type MOL
InChI Key CRSQNTIPEOAPCI-GDBMZVCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.8
MW (Da)
4.07
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.88
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 C16H16ClN
MW 257.76
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine