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Compound Detail

CHEMBL5801339

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O=C(Nc1ccc(Oc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)cc1Cl)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5801339
Phase Preclinical
Structure Type MOL
InChI Key KJHSIEBFBJGTMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.0
MW (Da)
4.23
ALogP
9
HBA
2
HBD
116.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30ClN5O6
MW 556.02
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine