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Compound Detail

CHEMBL1198507

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CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1cccs1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198507
Phase Preclinical
Structure Type MOL
InChI Key ZOSWTNNYZMNHNS-CUYJMHBOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
6.16
ALogP
5
HBA
0
HBD
46.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO3S
MW 447.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine