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Compound Detail

CHEMBL4103488

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COc1ccc2c(c1)CCCN2c1nc(C)nc2[nH]ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103488
Phase Preclinical
Structure Type MOL
InChI Key JNZVXECHSUEPIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
66.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O
MW 295.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.68

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Homo sapiens

Literature References

PubMed DOI Target Context # Activities
29406710 10.1021/acs.jmedchem.7b01858 A-375 1
29406710 10.1021/acs.jmedchem.7b01858 M14 1
29406710 10.1021/acs.jmedchem.7b01858 RPMI-7951 1
29406710 10.1021/acs.jmedchem.7b01858 Liver 1

Data from ChEMBL 36 via Core Engine