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Compound Detail

CHEMBL4598170

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Cc1nc(-c2ccccc2)oc1C(=O)Nc1nc(C2CCC2)c(N2CCN(C)CC2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598170
Phase Preclinical
Structure Type MOL
InChI Key YZEAOCDETFIHGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
4.38
ALogP
7
HBA
1
HBD
74.5
PSA (Ų)
0.64
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 C23H27N5O2S
MW 437.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.47

Data from ChEMBL 36 via Core Engine