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Compound Detail

CHEMBL3302775

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N[C@@H](C(=O)Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3302775
Phase Preclinical
Structure Type MOL
InChI Key OTQLWFFZSAHNFQ-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
6.06
ALogP
6
HBA
2
HBD
85.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21N3O2S2
MW 483.62
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine