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Compound Detail

CHEMBL5499173

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CCC[C@@H]1NC(=O)[C@@H](N2C(=O)N[C@@H](C)C2=O)CNC(=O)[C@H](CS(=O)(=O)O)NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499173
Phase Preclinical
Structure Type MOL
InChI Key XENVGBAANXGVDD-YWLCTHFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

846.9
MW (Da)
-0.54
ALogP
13
HBA
8
HBD
299.5
PSA (Ų)
0.09
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H46N8O12S2
MW 846.94
Aromatic Rings 2
Heavy Atoms 58
NP-Likeness 0.83

Data from ChEMBL 36 via Core Engine