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Compound Detail

CHEMBL4596514

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CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596514
Phase Preclinical
Structure Type MOL
InChI Key OXKMARLXXNQVMY-PZJWPPBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
6.50
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31Cl2N3O
MW 472.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine