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Compound Detail

CHEMBL1187458

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CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187458
Phase Preclinical
Structure Type MOL
InChI Key ZRLQSDWBAMIIJJ-LDNVYYCDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

725.9
MW (Da)
3.76
ALogP
6
HBA
4
HBD
160.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H47N7O5S
MW 725.92
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine