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Compound Detail

CHEMBL239291

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N=C(N)c1ccc2oc(CCCCCCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239291
Phase Preclinical
Structure Type MOL
InChI Key XKBYRHPVPPFSJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.87
ALogP
4
HBA
4
HBD
126.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O2
MW 430.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine