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Compound Detail

CHEMBL1189837

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CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189837
Phase Preclinical
Structure Type MOL
InChI Key NWKFECHBBBUROX-CUBQBAPOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

636.8
MW (Da)
2.19
ALogP
7
HBA
4
HBD
175.0
PSA (Ų)
0.13
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 C32H40N6O6S
MW 636.78
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine