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Compound Detail

CHEMBL558772

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)O)Cc2ccccc2)cs1)C(C)C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL558772
Phase Preclinical
Structure Type MOL
InChI Key HURUZYPUPSQYIQ-SDYXQGOUSA-N
Parent Compound CHEMBL1196942
Active Moiety CHEMBL1196942
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

627.8
MW (Da)
3.35
ALogP
8
HBA
5
HBD
166.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H46ClN5O6S
MW 664.27
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
18411048 10.1016/j.bmcl.2008.03.046 1A9 1
18411048 10.1016/j.bmcl.2008.03.046 Unchecked 1

Data from ChEMBL 36 via Core Engine