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Compound Detail

CHEMBL1206726

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Cn1c(-c2cccnc2)c(CCCCCC(=O)NCCCC[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 CHEMBL1206726
Phase Preclinical
Structure Type MOL
InChI Key BOHGZWWCYIGSEX-JSOSNVBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

702.2
MW (Da)
5.76
ALogP
7
HBA
4
HBD
153.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H44ClN5O6
MW 702.25
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine