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Compound Detail

CHEMBL1206103

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O=C(O)C1=CS[C@@H]2/C(=C\c3cc4c(s3)CCN(Cc3cccnc3)C4)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206103
Phase Preclinical
Structure Type MOL
InChI Key JTXLOXAHJKZYOH-ZUYGLVRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.93
ALogP
6
HBA
1
HBD
73.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O3S2
MW 411.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine