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Compound Detail

CHEMBL1187247

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CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187247
Phase Preclinical
Structure Type MOL
InChI Key JQOPCKBFNHXETR-FNAHDJPLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.9
MW (Da)
4.96
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN
MW 335.88
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine