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Compound Detail

CHEMBL4595382

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CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595382
Phase Preclinical
Structure Type MOL
InChI Key JMYIPFBYRVHYMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.0
MW (Da)
5.86
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34ClN3O2
MW 468.04
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine