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Compound Detail

CHEMBL4763994

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C=CC(=O)Nc1cccc(C(=O)Nc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763994
Phase Preclinical
Structure Type MOL
InChI Key HVAWQHDMHMNOAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
3.58
ALogP
7
HBA
2
HBD
103.9
PSA (Ų)
0.67
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 C22H27N5O4S
MW 457.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine