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Compound Detail

CHEMBL1205134

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Cn1c(-c2cccnc2)c(CCCCCC(=O)NCCNCCCC[C@H](N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)C(=O)O)c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205134
Phase Preclinical
Structure Type MOL
InChI Key RIOCIQOXKMUQJU-LQJZCPKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

745.3
MW (Da)
5.35
ALogP
8
HBA
5
HBD
165.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H49ClN6O6
MW 745.32
Aromatic Rings 4
Heavy Atoms 53
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine