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Compound Detail

CHEMBL4465082

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Cc1ccc(-c2csc(Cn3nc(CC4CN=CCO4)c4ccccc4c3=O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465082
Phase Preclinical
Structure Type MOL
InChI Key RRTFTCWBSZFCFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.89
ALogP
7
HBA
0
HBD
69.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O2S
MW 430.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.19

Pharmacokinetic Data

Parameter Value Units Species
CL - - Mus musculus

Data from ChEMBL 36 via Core Engine