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Compound Detail

CHEMBL1196493

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CC(=N)N1CCC(Oc2ccc(OCc3nc4cc(C(=N)N)ccc4n3CC(=O)Nc3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196493
Phase Preclinical
Structure Type MOL
InChI Key KCBCHAXCZTUHQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
4.38
ALogP
7
HBA
4
HBD
142.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N7O3
MW 539.64
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine