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Compound Detail

CHEMBL1204691

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O=C(O)CCSC(CCc1ccccc1-c1nc[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204691
Phase Preclinical
Structure Type MOL
InChI Key NAVMHFVFGUAGPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

559.1
MW (Da)
7.13
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27ClN4O3S
MW 559.09
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine