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Compound Detail

CHEMBL4116453

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CC1(C)N=C(N)N=C(N)N1OCCCOc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116453
Phase Preclinical
Structure Type MOL
InChI Key GXVSPJXHFWLBAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
1.07
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N5O2
MW 291.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine