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Compound Detail

CHEMBL1191539

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COc1cc2c(cc1OC)C(c1ccnc(-n3nc(Cc4cccnc4)c4ccccc4c3=O)c1)=N[C@H](CO)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191539
Phase Preclinical
Structure Type MOL
InChI Key CCJARLANHMJLNZ-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.6
MW (Da)
3.54
ALogP
9
HBA
1
HBD
111.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27N5O4
MW 533.59
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine