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Compound Detail

CHEMBL1196719

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COC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196719
Phase Preclinical
Structure Type MOL
InChI Key IOQSFQGBDCUXIQ-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.4
MW (Da)
4.63
ALogP
8
HBA
2
HBD
129.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Cl2N4O5
MW 535.43
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine