BMS-754807

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W9E3353E8J

Structure
InChI Key LQVXSNNAFNGRAH-QHCPKHFHSA-N
Smile C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1
InChI
InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24FN9O
Molecular Weight 461.51
AlogP 3.61
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 116.13
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Insulin-like growth factor I receptor inhibitor PubMed PubMed
Primary Target
Insulin-like growth factor I receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 11000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 23000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 7000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 22 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 1035 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- 2-8 - - 88
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - - - 75
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 4 - - -
Enzyme Transferase
- 3161 - - -
Other cytosolic protein
- 1035 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 17700 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 36300 - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 10200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1001350-96-4
ChEBI 88339
ChEMBL CHEMBL575448
DrugBank DB15399
FDA SRS W9E3353E8J
Guide to Pharmacology 7952
PDB EBI
PubChem 24785538
SureChEMBL SCHEMBL1810808
ZINC ZINC000043203317
CONTENTS