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Compound Detail

CHEMBL5914693

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Cc1nnn2c1-c1ccc(C(=O)NOCCO)cc1N(c1ccc(Cl)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5914693
Phase Preclinical
Structure Type MOL
InChI Key VHRAOPOVGCSADO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
2.71
ALogP
7
HBA
2
HBD
92.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN5O3
MW 413.87
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine