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Compound Detail

CHEMBL1851692

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CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(C)(=O)=O)cc3)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1851692
Phase Preclinical
Structure Type MOL
InChI Key KUQWDXNDCYWMHU-LOYHVIPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

611.8
MW (Da)
4.29
ALogP
7
HBA
2
HBD
116.2
PSA (Ų)
0.41
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 C33H45N3O6S
MW 611.81
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine