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Compound Detail

CHEMBL1183566

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CSCC[C@H](NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)[C@H](/C=C/[C@@H](N)CS)C(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183566
Phase Preclinical
Structure Type MOL
InChI Key XGFQAKQIQDYMMY-GTQJKTJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.7
MW (Da)
2.44
ALogP
7
HBA
4
HBD
122.0
PSA (Ų)
0.23
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 C25H37N3O5S2
MW 523.72
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine