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Compound Detail

CHEMBL1188886

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Oc1nc(Nc2ccccc2)nc2c1ncn2CCCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188886
Phase Preclinical
Structure Type MOL
InChI Key NXTQVMUVBFNMQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

561.0
MW (Da)
5.71
ALogP
8
HBA
3
HBD
99.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28ClF3N6O2
MW 561.01
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine