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Compound Detail

CHEMBL4803508

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CC1(C)N=C(N)N=C(N)N1OCCCN(Cc1ccccc1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803508
Phase Preclinical
Structure Type MOL
InChI Key XYRZUDPANKUJKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
3.35
ALogP
7
HBA
2
HBD
92.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27ClN6O
MW 414.94
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine