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Compound Detail

CHEMBL1197045

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CCN(CC)C(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197045
Phase Preclinical
Structure Type MOL
InChI Key GPYNTIJFZDKOET-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
2.75
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O2S
MW 373.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.57

Data from ChEMBL 36 via Core Engine