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Compound Detail

CHEMBL1189830

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COc1cc(Nc2[nH]cnc3nncc2-3)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189830
Phase Preclinical
Structure Type MOL
InChI Key MEALRIHLPMHELM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.07
ALogP
7
HBA
2
HBD
94.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N5O3
MW 301.31
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine