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Compound Detail

CHEMBL3304467

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Cc1csc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5nc(C)cs5)cc4OC(C)C)o3)c(OC(C)C)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304467
Phase Preclinical
Structure Type MOL
InChI Key YKPIHEJRMQUIAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

614.8
MW (Da)
8.59
ALogP
9
HBA
4
HBD
129.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N6O3S2
MW 614.80
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine