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Compound Detail

CHEMBL1189693

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O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189693
Phase Preclinical
Structure Type MOL
InChI Key IAGBXLVADMVFOS-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.1
MW (Da)
6.84
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.30
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28ClN3O2S
MW 554.12
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine