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Compound Detail

CHEMBL1206721

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Cn1c(-c2cccnc2)c(CCCCCC(=O)N2CCC(NCCCC[C@H](N[C@@H]3CCc4ccccc4N(CC(=O)O)C3=O)C(=O)O)CC2)c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206721
Phase Preclinical
Structure Type MOL
InChI Key ZDHKKVWRONHKTM-XDSPJLLDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

785.4
MW (Da)
6.22
ALogP
8
HBA
4
HBD
157.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H53ClN6O6
MW 785.39
Aromatic Rings 4
Heavy Atoms 56
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine