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Compound Detail

CHEMBL3139002

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O=C(NCc1ccc(C2=NCCN2)cc1)c1ccc(-c2cc3ccc(C4=NCCN4)cc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139002
Phase Preclinical
Structure Type MOL
InChI Key CWZJLNYYRJMHRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.46
ALogP
5
HBA
4
HBD
93.7
PSA (Ų)
0.35
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 C28H26N6O
MW 462.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine