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Compound Detail

CHEMBL1187564

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CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187564
Phase Preclinical
Structure Type MOL
InChI Key NKIBKNOODDQPIA-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
5.22
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18Cl2N2
MW 333.26
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine