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Compound Detail

CHEMBL4803760

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CC1N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803760
Phase Preclinical
Structure Type MOL
InChI Key DDEZXVMMTYCBTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.2
MW (Da)
1.98
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17Cl2N5O2
MW 346.22
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine