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Compound Detail

CHEMBL4802643

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CCCNC(=N)Nc1ccc(Cc2ccc(NC(=N)NCCC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802643
Phase Preclinical
Structure Type MOL
InChI Key KXFSBPSAIMSRQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.97
ALogP
2
HBA
6
HBD
95.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N6
MW 366.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine