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Compound Detail

CHEMBL1179170

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CSCC[C@H](NC(=O)[C@@H]1C[C@H](Oc2cccc3c2CCCC3)CN1C/C=C/[C@@H](N)CS)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179170
Phase Preclinical
Structure Type MOL
InChI Key RSBRCAAERNSFPY-AYPLTYEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.7
MW (Da)
2.52
ALogP
7
HBA
4
HBD
104.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H37N3O4S2
MW 507.72
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine